(1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone

C21H22N2O — CID 97187488

IUPAC(1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1[C@@H]1CCCN1C(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C21H22N2O/c1-15-6-3-4-7-18(15)19-8-5-12-23(19)21(24)17-10-9-16-11-13-22(2)20(16)14-17/h3-4,6-7,9-11,13-14,19H,5,8,12H2,1-2H3/t19-/m0/s1
InChIKeyCBVXOHOMFJNLBE-IBGZPJMESA-N
MW318.42 g/mol
LogP4.46
Rot. Bonds2

About (1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone

(1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 97187488) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is (1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID97187488
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name(1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1[C@@H]1CCCN1C(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C21H22N2O/c1-15-6-3-4-7-18(15)19-8-5-12-23(19)21(24)17-10-9-16-11-13-22(2)20(16)14-17/h3-4,6-7,9-11,13-14,19H,5,8,12H2,1-2H3/t19-/m0/s1
InChIKeyCBVXOHOMFJNLBE-IBGZPJMESA-N
XLogP4.46
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)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

[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone
CID 97280058
(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046
(3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119721832
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829
(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 61062384
N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 47067221
(2,4-dihydroxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 25058141
(2,4-dihydroxyphenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 15942101
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
(4,5-dibromothiophen-2-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 80534413
2-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055195
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone (CID 97187488) is (1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc2ccn(C)c2c1.
What is the InChIKey of (1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is CBVXOHOMFJNLBE-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-6-3-4-7-18(15)19-8-5-12-23(19)21(24)17-10-9-16-11-13-22(2)20(16)14-17/h3-4,6-7,9-11,13-14,19H,5,8,12H2,1-2H3/t19-/m0/s1.
What are the key properties of (1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
(1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97187488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).