1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

C23H26N2O2 — CID 113186494

IUPAC1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESCCc1cccc(C)c1N1CC(C(=O)N2c3ccccc3CC2C)CC1=O
InChIInChI=1S/C23H26N2O2/c1-4-17-10-7-8-15(2)22(17)24-14-19(13-21(24)26)23(27)25-16(3)12-18-9-5-6-11-20(18)25/h5-11,16,19H,4,12-14H2,1-3H3
InChIKeyBUNKXWSNXNBFNM-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.89
Rot. Bonds3

About 1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (PubChem CID 113186494) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
PubChem CID113186494
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESCCc1cccc(C)c1N1CC(C(=O)N2c3ccccc3CC2C)CC1=O
InChIInChI=1S/C23H26N2O2/c1-4-17-10-7-8-15(2)22(17)24-14-19(13-21(24)26)23(27)25-16(3)12-18-9-5-6-11-20(18)25/h5-11,16,19H,4,12-14H2,1-3H3
InChIKeyBUNKXWSNXNBFNM-UHFFFAOYSA-N
XLogP3.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17120521
1-(2,5-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17151966
1-(3,5-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17120998
1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186377
4-(azepane-1-carbonyl)-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 113186430
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 113189841
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188614
1-(2,4-dichlorophenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113191026
(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37028876
(4R)-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 95719384
4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 56894919
N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186499

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (CID 113186494) is 1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is CCc1cccc(C)c1N1CC(C(=O)N2c3ccccc3CC2C)CC1=O.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The InChIKey is BUNKXWSNXNBFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-4-17-10-7-8-15(2)22(17)24-14-19(13-21(24)26)23(27)25-16(3)12-18-9-5-6-11-20(18)25/h5-11,16,19H,4,12-14H2,1-3H3.
What are the key properties of 1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one has a molecular weight of 362.47 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113186494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).