[(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone

C17H22N2O2 — CID 124860256

IUPAC[(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
SMILESO=C([C@H]1C[C@H](O)CN1)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c20-12-9-14(18-10-12)16(21)19-11-17(7-3-4-8-17)13-5-1-2-6-15(13)19/h1-2,5-6,12,14,18,20H,3-4,7-11H2/t12-,14+/m0/s1
InChIKeyAQXGWCXECJTIAE-GXTWGEPZSA-N
MW286.38 g/mol
LogP1.57
Rot. Bonds1

About [(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone

[(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone (PubChem CID 124860256) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone.

Molecular Properties

Compound Name[(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
PubChem CID124860256
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
SMILESO=C([C@H]1C[C@H](O)CN1)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c20-12-9-14(18-10-12)16(21)19-11-17(7-3-4-8-17)13-5-1-2-6-15(13)19/h1-2,5-6,12,14,18,20H,3-4,7-11H2/t12-,14+/m0/s1
InChIKeyAQXGWCXECJTIAE-GXTWGEPZSA-N
XLogP1.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone 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

(2S,3R,4R)-3,4-dihydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide
CID 45483254
(2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 90682463
(2r,4s)-4-hydroxy-1-(2,2,2-trifluoroacetyl)-N-(2-(trifluoromethyl)phenyl)pyrrolidine-2-carboxamide
CID 129857190
(2S,4R)-N-(2,6-Dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 155294232
1'-[(3S)-3,4-dihydroxybutyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 140558560
(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-octyl-4-[[4-(trifluoromethyl)anilino]methyl]triazolidin-1-yl]butanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 167091929
US11912714, Example 44
CID 168880592
US11912714, Example 41
CID 168880602
US11912714, Example 45
CID 168880605
US11912714, Example 42
CID 169818962
US11912714, Example 43
CID 169818977
US11912714, Example 46
CID 169818986

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone?
The IUPAC name of [(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone (CID 124860256) is [(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone.
What is the SMILES notation for [(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone?
The canonical SMILES for [(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone is O=C([C@H]1C[C@H](O)CN1)N1CC2(CCCC2)c2ccccc21.
What is the InChIKey of [(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone?
The InChIKey is AQXGWCXECJTIAE-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-12-9-14(18-10-12)16(21)19-11-17(7-3-4-8-17)13-5-1-2-6-15(13)19/h1-2,5-6,12,14,18,20H,3-4,7-11H2/t12-,14+/m0/s1.
What are the key properties of [(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone?
[(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone has a molecular weight of 286.38 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone is sourced from PubChem (CID 124860256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).