3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone

C19H24N2O — CID 158751762

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone
SMILESCC(C)c1c[nH]c2ccc(C(=O)N3CC4CCCC4C3)cc12
InChIInChI=1S/C19H24N2O/c1-12(2)17-9-20-18-7-6-13(8-16(17)18)19(22)21-10-14-4-3-5-15(14)11-21/h6-9,12,14-15,20H,3-5,10-11H2,1-2H3
InChIKeyINONKEZIULXGED-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.16
Rot. Bonds2

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone (PubChem CID 158751762) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone
PubChem CID158751762
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone
SMILESCC(C)c1c[nH]c2ccc(C(=O)N3CC4CCCC4C3)cc12
InChIInChI=1S/C19H24N2O/c1-12(2)17-9-20-18-7-6-13(8-16(17)18)19(22)21-10-14-4-3-5-15(14)11-21/h6-9,12,14-15,20H,3-5,10-11H2,1-2H3
InChIKeyINONKEZIULXGED-UHFFFAOYSA-N
XLogP4.16
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone
CID 159312974
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245
[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone
CID 139458547
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-2-propan-2-ylbenzenesulfonamide
CID 71069406
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
3-propan-2-yl-1H-indol-5-amine
CID 90162786
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-amino-4-bromophenyl)methanone
CID 115558697
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
CID 121184096
4-[(3aS,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]benzoic acid
CID 124701574
(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone
CID 145367102
[(1S,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
CID 95931355
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)benzenecarbothioamide
CID 115559904

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone (CID 158751762) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone is CC(C)c1c[nH]c2ccc(C(=O)N3CC4CCCC4C3)cc12.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone?
The InChIKey is INONKEZIULXGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-12(2)17-9-20-18-7-6-13(8-16(17)18)19(22)21-10-14-4-3-5-15(14)11-21/h6-9,12,14-15,20H,3-5,10-11H2,1-2H3.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone has a molecular weight of 296.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone is sourced from PubChem (CID 158751762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).