1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone

C22H24N2O — CID 95592234

IUPAC1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
SMILESCC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C22H24N2O/c1-2-19(16-7-4-3-5-8-16)21-9-6-14-24(21)22(25)18-11-10-17-12-13-23-20(17)15-18/h3-5,7-8,10-13,15,19,21,23H,2,6,9,14H2,1H3/t19-,21+/m1/s1
InChIKeyJWWIYNVVGDWQOE-CTNGQTDRSA-N
MW332.45 g/mol
LogP4.97
Rot. Bonds4

About 1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone

1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone (PubChem CID 95592234) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
PubChem CID95592234
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
SMILESCC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C22H24N2O/c1-2-19(16-7-4-3-5-8-16)21-9-6-14-24(21)22(25)18-11-10-17-12-13-23-20(17)15-18/h3-5,7-8,10-13,15,19,21,23H,2,6,9,14H2,1H3/t19-,21+/m1/s1
InChIKeyJWWIYNVVGDWQOE-CTNGQTDRSA-N
XLogP4.97
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-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

(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 56800405
(3-methoxyphenyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592187
N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 95592222
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493
(4-bromo-1H-pyrrol-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 97025872
(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592245
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592365
N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 95592243
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308525
(2-cyclopentylpyrrolidin-1-yl)-(1H-indol-6-yl)methanone
CID 61073765
(4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 56800413
(5-methylpyrazin-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 94801465

Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone (CID 95592234) is 1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone is CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone?
The InChIKey is JWWIYNVVGDWQOE-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-19(16-7-4-3-5-8-16)21-9-6-14-24(21)22(25)18-11-10-17-12-13-23-20(17)15-18/h3-5,7-8,10-13,15,19,21,23H,2,6,9,14H2,1H3/t19-,21+/m1/s1.
What are the key properties of 1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone?
1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone has a molecular weight of 332.45 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95592234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).