(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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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

C172H327N27O9 — CID 159638182

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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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
SMILESCC(C)(C)N1C(=O)CN2CCC1CC2.CC(C)(C)N1C2CCCC1CNC2.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(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.2C11H22N2.C11H19NO.C11H21N.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;1-11(2,3)13-9-8-12-6-4-10(13)5-7-12;1-11(2,3)13-9-5-4-6-10(13)8-12-7-9;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)12-6-8-4-9(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;10H,4-9H2,1-3H3;9-10,12H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;8-9,11H,4-7H2,1-3H3/t;;;;;;;;;;;;8-,9-;;/m............0../s1
InChIKeyMPZUNYCNBFEBHM-GXVLSYMWSA-N
MW2917.69 g/mol
LogP24.32
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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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

(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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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 (PubChem CID 159638182) has the molecular formula C172H327N27O9 and a molecular weight of 2917.69 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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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.

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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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
PubChem CID159638182
Molecular FormulaC172H327N27O9
Molecular Weight2917.69 g/mol
Exact Mass2915.60
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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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
SMILESCC(C)(C)N1C(=O)CN2CCC1CC2.CC(C)(C)N1C2CCCC1CNC2.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(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.2C11H22N2.C11H19NO.C11H21N.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;1-11(2,3)13-9-8-12-6-4-10(13)5-7-12;1-11(2,3)13-9-5-4-6-10(13)8-12-7-9;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)12-6-8-4-9(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;10H,4-9H2,1-3H3;9-10,12H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;8-9,11H,4-7H2,1-3H3/t;;;;;;;;;;;;8-,9-;;/m............0../s1
InChIKeyMPZUNYCNBFEBHM-GXVLSYMWSA-N
XLogP24.32
TPSA286.96 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002917.69
LogP ≤ 524.32
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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 with MolForge

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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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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?
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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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 (CID 159638182) 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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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.
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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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?
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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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 is CC(C)(C)N1C(=O)CN2CCC1CC2.CC(C)(C)N1C2CCCC1CNC2.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(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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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?
The InChIKey is MPZUNYCNBFEBHM-GXVLSYMWSA-N. The full InChI is InChI=1S/C14H25NO.2C12H22N2O.3C12H24N2.C11H20N2O2.2C11H20N2O.C11H22N2O.2C11H22N2.C11H19NO.C11H21N.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;1-11(2,3)13-9-8-12-6-4-10(13)5-7-12;1-11(2,3)13-9-5-4-6-10(13)8-12-7-9;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)12-6-8-4-9(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;10H,4-9H2,1-3H3;9-10,12H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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?
(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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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 has a molecular weight of 2917.69 g/mol, XLogP of 24.32, 0 rotatable bonds, 7 hydrogen bond donors, and 29 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;9-tert-butyl-3,9-diazabicyclo[3.3.1]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;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 is sourced from PubChem (CID 159638182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).