4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one

C24H27N3O2 — CID 113189841

IUPAC4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
SMILESCC1Cc2ccccc2N1C(=O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C24H27N3O2/c1-17-14-18-6-2-3-7-22(18)27(17)24(29)19-15-23(28)26(16-19)21-10-8-20(9-11-21)25-12-4-5-13-25/h2-3,6-11,17,19H,4-5,12-16H2,1H3
InChIKeyOXCGTWHGVXTVND-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.62
Rot. Bonds3

About 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one

4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one (PubChem CID 113189841) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
PubChem CID113189841
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
SMILESCC1Cc2ccccc2N1C(=O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C24H27N3O2/c1-17-14-18-6-2-3-7-22(18)27(17)24(29)19-15-23(28)26(16-19)21-10-8-20(9-11-21)25-12-4-5-13-25/h2-3,6-11,17,19H,4-5,12-16H2,1H3
InChIKeyOXCGTWHGVXTVND-UHFFFAOYSA-N
XLogP3.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17120998
1-(2-ethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17120521
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188614
1-(2,5-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17151966
1-(2,4-dichlorophenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113191026
1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113186494
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37028876
(2-methyl-2,3-dihydroindol-1-yl)-(5-piperidin-1-yl-2-pyridinyl)methanone
CID 109182883
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
(4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 93250929
(2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7513834

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one (CID 113189841) is 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one is CC1Cc2ccccc2N1C(=O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one?
The InChIKey is OXCGTWHGVXTVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-14-18-6-2-3-7-22(18)27(17)24(29)19-15-23(28)26(16-19)21-10-8-20(9-11-21)25-12-4-5-13-25/h2-3,6-11,17,19H,4-5,12-16H2,1H3.
What are the key properties of 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one?
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one has a molecular weight of 389.50 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 113189841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).