(4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one

C22H24N2O2 — CID 93250929

IUPAC(4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C22H24N2O2/c1-16-13-18-9-5-6-10-20(18)24(16)22(26)19-14-21(25)23(15-19)12-11-17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3/t16-,19+/m1/s1
InChIKeyKJBJDINPWPETED-APWZRJJASA-N
MW348.45 g/mol
LogP3.06
Rot. Bonds4

About (4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one

(4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 93250929) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID93250929
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C22H24N2O2/c1-16-13-18-9-5-6-10-20(18)24(16)22(26)19-14-21(25)23(15-19)12-11-17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3/t16-,19+/m1/s1
InChIKeyKJBJDINPWPETED-APWZRJJASA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113185869
1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113182487
1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113182433
(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37028876
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
1-(2-ethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17120521
4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 53181871
N'-hydroxy-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboximidamide
CID 138111361
1-(3,5-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17120998
4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 43071881
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188614

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one (CID 93250929) is (4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one is C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is KJBJDINPWPETED-APWZRJJASA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-13-18-9-5-6-10-20(18)24(16)22(26)19-14-21(25)23(15-19)12-11-17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3/t16-,19+/m1/s1.
What are the key properties of (4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one?
(4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 93250929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).