(3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane

C182H345N29O11 — CID 159326345

IUPAC(3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)(C)N1C(=O)CN2CCC1CC2.CC(C)(C)N1C2CNCC1COC2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CC2CNC(C2)C1.CC(C)(C)N1CC2CNCC2CC1=O.CC(C)(C)N1CC2COCC(CC1=O)N2.CC(C)(C)N1CCC2(CCCN2)C1=O.CC(C)(C)N1CCC2(CCNCC2)C1=O.CC(C)(C)N1CCC2COCC(C1)N2.CC(C)(C)N1CCCC2(CCCCC2)C1=O.CC(C)(C)N1CCCC2CCCN2C1.CC(C)(C)N1CCCC2CCNC2C1.CC(C)(C)N1CCN2CCC1CC2.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCN2CCCCC2C1=O.CC(C)(C)N1C[C@@H]2CCC[C@@H]2C1=O
InChIInChI=1S/C14H25NO.2C12H22N2O.3C12H24N2.C11H20N2O2.2C11H20N2O.C11H22N2O.C11H20N2O.C11H22N2.C11H19NO.C11H21N.C10H20N2O.C10H20N2/c1-13(2,3)15-11-7-10-14(12(15)16)8-5-4-6-9-14;1-11(2,3)14-9-6-12(10(14)15)4-7-13-8-5-12;1-12(2,3)14-9-8-13-7-5-4-6-10(13)11(14)15;1-12(2,3)14-9-5-7-11-6-4-8-13(11)10-14;1-12(2,3)14-8-4-5-10-6-7-13-11(10)9-14;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-5-9-7-15-6-8(12-9)4-10(13)14;1-11(2,3)13-7-9-6-12-5-8(9)4-10(13)14;1-11(2,3)13-9-4-6-12(7-5-9)8-10(13)14;1-11(2,3)13-5-4-9-7-14-8-10(6-13)12-9;1-10(2,3)13-8-6-11(9(13)14)5-4-7-12-11;1-11(2,3)13-9-8-12-6-4-10(13)5-7-12;1-11(2,3)12-7-8-5-4-6-9(8)10(12)13;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-8-4-11-5-9(12)7-13-6-8;1-10(2,3)12-6-8-4-9(7-12)11-5-8/h4-11H2,1-3H3;13H,4-9H2,1-3H3;10H,4-9H2,1-3H3;11H,4-10H2,1-3H3;10-11,13H,4-9H2,1-3H3;11H,4-10H2,1-3H3;8-9,12H,4-7H2,1-3H3;8-9,12H,4-7H2,1-3H3;9H,4-8H2,1-3H3;9-10,12H,4-8H2,1-3H3;12H,4-8H2,1-3H3;10H,4-9H2,1-3H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3/t;;;;;;;;;;;;8-,9-;;;/m............0.../s1
InChIKeyLEKIOMRVKFUBMU-NCDFGGOWSA-N
MW3115.95 g/mol
LogP24.31
Rot. Bonds

About (3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane

(3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane (PubChem CID 159326345) has the molecular formula C182H345N29O11 and a molecular weight of 3115.95 g/mol. Its IUPAC name is (3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
PubChem CID159326345
Molecular FormulaC182H345N29O11
Molecular Weight3115.95 g/mol
Exact Mass3113.73
IUPAC Name(3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)(C)N1C(=O)CN2CCC1CC2.CC(C)(C)N1C2CNCC1COC2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CC2CNC(C2)C1.CC(C)(C)N1CC2CNCC2CC1=O.CC(C)(C)N1CC2COCC(CC1=O)N2.CC(C)(C)N1CCC2(CCCN2)C1=O.CC(C)(C)N1CCC2(CCNCC2)C1=O.CC(C)(C)N1CCC2COCC(C1)N2.CC(C)(C)N1CCCC2(CCCCC2)C1=O.CC(C)(C)N1CCCC2CCCN2C1.CC(C)(C)N1CCCC2CCNC2C1.CC(C)(C)N1CCN2CCC1CC2.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCN2CCCCC2C1=O.CC(C)(C)N1C[C@@H]2CCC[C@@H]2C1=O
InChIInChI=1S/C14H25NO.2C12H22N2O.3C12H24N2.C11H20N2O2.2C11H20N2O.C11H22N2O.C11H20N2O.C11H22N2.C11H19NO.C11H21N.C10H20N2O.C10H20N2/c1-13(2,3)15-11-7-10-14(12(15)16)8-5-4-6-9-14;1-11(2,3)14-9-6-12(10(14)15)4-7-13-8-5-12;1-12(2,3)14-9-8-13-7-5-4-6-10(13)11(14)15;1-12(2,3)14-9-5-7-11-6-4-8-13(11)10-14;1-12(2,3)14-8-4-5-10-6-7-13-11(10)9-14;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-5-9-7-15-6-8(12-9)4-10(13)14;1-11(2,3)13-7-9-6-12-5-8(9)4-10(13)14;1-11(2,3)13-9-4-6-12(7-5-9)8-10(13)14;1-11(2,3)13-5-4-9-7-14-8-10(6-13)12-9;1-10(2,3)13-8-6-11(9(13)14)5-4-7-12-11;1-11(2,3)13-9-8-12-6-4-10(13)5-7-12;1-11(2,3)12-7-8-5-4-6-9(8)10(12)13;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-8-4-11-5-9(12)7-13-6-8;1-10(2,3)12-6-8-4-9(7-12)11-5-8/h4-11H2,1-3H3;13H,4-9H2,1-3H3;10H,4-9H2,1-3H3;11H,4-10H2,1-3H3;10-11,13H,4-9H2,1-3H3;11H,4-10H2,1-3H3;8-9,12H,4-7H2,1-3H3;8-9,12H,4-7H2,1-3H3;9H,4-8H2,1-3H3;9-10,12H,4-8H2,1-3H3;12H,4-8H2,1-3H3;10H,4-9H2,1-3H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3/t;;;;;;;;;;;;8-,9-;;;/m............0.../s1
InChIKeyLEKIOMRVKFUBMU-NCDFGGOWSA-N
XLogP24.31
TPSA328.53 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003115.95
LogP ≤ 524.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze (3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,9-diazaspiro[5.5]undecane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;methane
CID 161432244
2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+)
CID 159947320
(3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-tert-butyl-3,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[c]azepine;6-tert-butyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;3-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;7-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine;3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-3-azabicyclo[4.2.0]octane;7-tert-butyl-6-oxabicyclo[3.2.0]heptane;3-tert-butyl-6-oxabicyclo[3.2.0]hept-4-ene;6-tert-butyl-3-oxabicyclo[3.1.0]hexane;2-tert-butyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole
CID 160828232
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;1,2,3,5,6,7,8,8a-octahydroindolizine;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;bis(1-azaspiro[4.4]nonane);azepane;cycloheptane;cyclopentane;methane;tris(piperidine)
CID 161114694
2-tert-butyl-3,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[c]azepine;3-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;7-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-3-azabicyclo[4.2.0]octane;7-tert-butyl-6-oxabicyclo[3.2.0]heptane;2-tert-butyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;3,3-ditert-butyl-2H-1,4-benzodioxine;3,3-ditert-butyl-1,2-dihydroindole;methane
CID 165100761
5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 163962747
9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 146322997
2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;ethane;methane
CID 159193504
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane;bis((2S)-1,4-ditert-butyl-2-methylpiperazine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperazin-2-one;1,4-ditert-butylpiperidine
CID 163776202
3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinoline;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methylidene-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;4-methylidene-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;3-methylidene-2,5,6,7,8,8a-hexahydro-1H-indolizine;5-methylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine;6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizine;7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine;8-methylidene-2,3,5,6,7,8a-hexahydro-1H-indolizine;1-methylidene-2,3,4,6,7,9a-hexahydroquinolizine;2-methylidene-1,3,4,6,7,9a-hexahydroquinolizine;3-methylidene-1,2,4,6,7,9a-hexahydroquinolizine;3-methylidene-1,2,4,6,9,9a-hexahydroquinolizine;4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine;4-methylidene-1,2,3,6,9,9a-hexahydroquinolizine;9-methylidene-1,4,6,7,8,9a-hexahydroquinolizine;1-methylidene-3,4,6,7,8,9,10,10a-octahydro-2H-pyrido[1,2-a]azepine;3-methylidene-2,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine;4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine;3-methylidene-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine;6-methylidene-1,2,3,4,7,8,9,9a-octahydroquinolizine;8-methylidene-1,2,3,4,6,7,9,9a-octahydroquinolizine;9-methylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine;2-methylidene-1-azabicyclo[3.2.0]heptane;2-methylidene-1-azabicyclo[4.2.0]octane;3-methylidene-1-azabicyclo[4.2.0]octane;5-methylidene-1-azabicyclo[4.2.0]octane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine;5-methyl-7-oxa-4-azaspiro[2.5]oct-4-ene
CID 158972490
2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium
CID 160804327

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of (3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane (CID 159326345) is (3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for (3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for (3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane is CC(C)(C)N1C(=O)CN2CCC1CC2.CC(C)(C)N1C2CNCC1COC2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CC2CNC(C2)C1.CC(C)(C)N1CC2CNCC2CC1=O.CC(C)(C)N1CC2COCC(CC1=O)N2.CC(C)(C)N1CCC2(CCCN2)C1=O.CC(C)(C)N1CCC2(CCNCC2)C1=O.CC(C)(C)N1CCC2COCC(C1)N2.CC(C)(C)N1CCCC2(CCCCC2)C1=O.CC(C)(C)N1CCCC2CCCN2C1.CC(C)(C)N1CCCC2CCNC2C1.CC(C)(C)N1CCN2CCC1CC2.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCN2CCCCC2C1=O.CC(C)(C)N1C[C@@H]2CCC[C@@H]2C1=O.
What is the InChIKey of (3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The InChIKey is LEKIOMRVKFUBMU-NCDFGGOWSA-N. The full InChI is InChI=1S/C14H25NO.2C12H22N2O.3C12H24N2.C11H20N2O2.2C11H20N2O.C11H22N2O.C11H20N2O.C11H22N2.C11H19NO.C11H21N.C10H20N2O.C10H20N2/c1-13(2,3)15-11-7-10-14(12(15)16)8-5-4-6-9-14;1-11(2,3)14-9-6-12(10(14)15)4-7-13-8-5-12;1-12(2,3)14-9-8-13-7-5-4-6-10(13)11(14)15;1-12(2,3)14-9-5-7-11-6-4-8-13(11)10-14;1-12(2,3)14-8-4-5-10-6-7-13-11(10)9-14;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-5-9-7-15-6-8(12-9)4-10(13)14;1-11(2,3)13-7-9-6-12-5-8(9)4-10(13)14;1-11(2,3)13-9-4-6-12(7-5-9)8-10(13)14;1-11(2,3)13-5-4-9-7-14-8-10(6-13)12-9;1-10(2,3)13-8-6-11(9(13)14)5-4-7-12-11;1-11(2,3)13-9-8-12-6-4-10(13)5-7-12;1-11(2,3)12-7-8-5-4-6-9(8)10(12)13;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-8-4-11-5-9(12)7-13-6-8;1-10(2,3)12-6-8-4-9(7-12)11-5-8/h4-11H2,1-3H3;13H,4-9H2,1-3H3;10H,4-9H2,1-3H3;11H,4-10H2,1-3H3;10-11,13H,4-9H2,1-3H3;11H,4-10H2,1-3H3;8-9,12H,4-7H2,1-3H3;8-9,12H,4-7H2,1-3H3;9H,4-8H2,1-3H3;9-10,12H,4-8H2,1-3H3;12H,4-8H2,1-3H3;10H,4-9H2,1-3H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3/t;;;;;;;;;;;;8-,9-;;;/m............0.../s1.
What are the key properties of (3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
(3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane has a molecular weight of 3115.95 g/mol, XLogP of 24.31, 0 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-tert-butyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-tert-butyl-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;2-tert-butyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[5.5]undecan-1-one;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonan-3-one;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decan-1-one;7-tert-butyl-1,7-diazaspiro[4.4]nonan-6-one;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one;9-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 159326345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).