(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

C178H333N17O6 — CID 160828232

IUPAC(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
SMILESCC(C)(C)C1C2CNCC21.CC(C)(C)C1C2COCC21.CC(C)(C)C1C=C2OCC2C1.CC(C)(C)C1CC2CCNCC2C1.CC(C)(C)C1CC2COCCN2C1.CC(C)(C)C1NCC2CCCC21.CC(C)(C)C1OC2CCCC21.CC(C)(C)N1CC(=O)N2CCCC2C1.CC(C)(C)N1CC2=C(CCC2)C1.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2NCCOC2C1.CC(C)(C)N1CCC2CC2C1.CC(C)(C)N1CCC2CCC2C1.CC(C)(C)N1CCCC2CCCC2C1.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1C[C@H]2CCC[C@H]2C1.CC(C)(C)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C13H25N.C12H23N.C11H20N2O.C11H22N2.C11H21NO.2C11H21N.C11H19N.C11H21N.C10H20N2O.C10H19N.C10H16O.C10H18O.3C9H17N.C9H16O/c1-13(2,3)14-9-5-8-11-6-4-7-12(11)10-14;1-12(2,3)11-6-9-4-5-13-8-10(9)7-11;1-11(2,3)12-7-9-5-4-6-13(9)10(14)8-12;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-11(2,3)9-6-10-8-13-5-4-12(10)7-9;1-11(2,3)12-7-6-9-4-5-10(9)8-12;2*1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-11(2,3)10-9-6-4-5-8(9)7-12-10;1-10(2,3)12-6-8-9(7-12)13-5-4-11-8;1-10(2,3)11-5-4-8-6-9(8)7-11;1-10(2,3)8-4-7-6-11-9(7)5-8;1-10(2,3)9-7-5-4-6-8(7)11-9;2*1-9(2,3)10-5-7-4-8(7)6-10;2*1-9(2,3)8-6-4-10-5-7(6)8/h11-12H,4-10H2,1-3H3;9-11,13H,4-8H2,1-3H3;9H,4-8H2,1-3H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;4-8H2,1-3H3;8-10,12H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;5,7-8H,4,6H2,1-3H3;7-9H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;6-8,10H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3/t;;;;;;9-,10+;;;;;;;7-,8+;;;
InChIKeySGLPOBQDXRYJGR-OVMUUMHTSA-N
MW2807.73 g/mol
LogP35.07
Rot. Bonds

About (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

(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 (PubChem CID 160828232) has the molecular formula C178H333N17O6 and a molecular weight of 2807.73 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160828232
Molecular FormulaC178H333N17O6
Molecular Weight2807.73 g/mol
Exact Mass2805.63
IUPAC Name(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
SMILESCC(C)(C)C1C2CNCC21.CC(C)(C)C1C2COCC21.CC(C)(C)C1C=C2OCC2C1.CC(C)(C)C1CC2CCNCC2C1.CC(C)(C)C1CC2COCCN2C1.CC(C)(C)C1NCC2CCCC21.CC(C)(C)C1OC2CCCC21.CC(C)(C)N1CC(=O)N2CCCC2C1.CC(C)(C)N1CC2=C(CCC2)C1.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2NCCOC2C1.CC(C)(C)N1CCC2CC2C1.CC(C)(C)N1CCC2CCC2C1.CC(C)(C)N1CCCC2CCCC2C1.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1C[C@H]2CCC[C@H]2C1.CC(C)(C)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C13H25N.C12H23N.C11H20N2O.C11H22N2.C11H21NO.2C11H21N.C11H19N.C11H21N.C10H20N2O.C10H19N.C10H16O.C10H18O.3C9H17N.C9H16O/c1-13(2,3)14-9-5-8-11-6-4-7-12(11)10-14;1-12(2,3)11-6-9-4-5-13-8-10(9)7-11;1-11(2,3)12-7-9-5-4-6-13(9)10(14)8-12;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-11(2,3)9-6-10-8-13-5-4-12(10)7-9;1-11(2,3)12-7-6-9-4-5-10(9)8-12;2*1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-11(2,3)10-9-6-4-5-8(9)7-12-10;1-10(2,3)12-6-8-9(7-12)13-5-4-11-8;1-10(2,3)11-5-4-8-6-9(8)7-11;1-10(2,3)8-4-7-6-11-9(7)5-8;1-10(2,3)9-7-5-4-6-8(7)11-9;2*1-9(2,3)10-5-7-4-8(7)6-10;2*1-9(2,3)8-6-4-10-5-7(6)8/h11-12H,4-10H2,1-3H3;9-11,13H,4-8H2,1-3H3;9H,4-8H2,1-3H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;4-8H2,1-3H3;8-10,12H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;5,7-8H,4,6H2,1-3H3;7-9H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;6-8,10H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3/t;;;;;;9-,10+;;;;;;;7-,8+;;;
InChIKeySGLPOBQDXRYJGR-OVMUUMHTSA-N
XLogP35.07
TPSA153.46 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms201
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002807.73
LogP ≤ 535.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)C1C2CNCC21.CC(C)(C)C1C2COCC21.CC(C)(C)C1C=C2OCC2C1.CC(C)(C)C1CC2CCNCC2C1.CC(C)(C)C1CC2COCCN2C1.CC(C)(C)C1NCC2CCCC21.CC(C)(C)C1OC2CCCC21.CC(C)(C)N1CC(=O)N2CCCC2C1.CC(C)(C)N1CC2=C(CCC2)C1.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2NCCOC2C1.CC(C)(C)N1CCC2CC2C1.CC(C)(C)N1CCC2CCC2C1.CC(C)(C)N1CCCC2CCCC2C1.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1C[C@H]2CCC[C@H]2C1.CC(C)(C)N1C[C@H]2C[C@H]2C1.
What is the InChIKey of (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?
The InChIKey is SGLPOBQDXRYJGR-OVMUUMHTSA-N. The full InChI is InChI=1S/C13H25N.C12H23N.C11H20N2O.C11H22N2.C11H21NO.2C11H21N.C11H19N.C11H21N.C10H20N2O.C10H19N.C10H16O.C10H18O.3C9H17N.C9H16O/c1-13(2,3)14-9-5-8-11-6-4-7-12(11)10-14;1-12(2,3)11-6-9-4-5-13-8-10(9)7-11;1-11(2,3)12-7-9-5-4-6-13(9)10(14)8-12;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-11(2,3)9-6-10-8-13-5-4-12(10)7-9;1-11(2,3)12-7-6-9-4-5-10(9)8-12;2*1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-11(2,3)10-9-6-4-5-8(9)7-12-10;1-10(2,3)12-6-8-9(7-12)13-5-4-11-8;1-10(2,3)11-5-4-8-6-9(8)7-11;1-10(2,3)8-4-7-6-11-9(7)5-8;1-10(2,3)9-7-5-4-6-8(7)11-9;2*1-9(2,3)10-5-7-4-8(7)6-10;2*1-9(2,3)8-6-4-10-5-7(6)8/h11-12H,4-10H2,1-3H3;9-11,13H,4-8H2,1-3H3;9H,4-8H2,1-3H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;4-8H2,1-3H3;8-10,12H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;5,7-8H,4,6H2,1-3H3;7-9H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;6-8,10H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3/t;;;;;;9-,10+;;;;;;;7-,8+;;;.
What are the key properties of (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?
(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 has a molecular weight of 2807.73 g/mol, XLogP of 35.07, 0 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160828232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).