(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one

C21H22N2O4 — CID 9395508

IUPAC(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(OC)c(N2C[C@@H](C(=O)N3CCc4ccccc43)CC2=O)c1
InChIInChI=1S/C21H22N2O4/c1-26-16-7-8-19(27-2)18(12-16)23-13-15(11-20(23)24)21(25)22-10-9-14-5-3-4-6-17(14)22/h3-8,12,15H,9-11,13H2,1-2H3/t15-/m0/s1
InChIKeyRGVXSIGRTGZHEJ-HNNXBMFYSA-N
MW366.42 g/mol
LogP2.65
Rot. Bonds4

About (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one

(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one (PubChem CID 9395508) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
PubChem CID9395508
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(OC)c(N2C[C@@H](C(=O)N3CCc4ccccc43)CC2=O)c1
InChIInChI=1S/C21H22N2O4/c1-26-16-7-8-19(27-2)18(12-16)23-13-15(11-20(23)24)21(25)22-10-9-14-5-3-4-6-17(14)22/h3-8,12,15H,9-11,13H2,1-2H3/t15-/m0/s1
InChIKeyRGVXSIGRTGZHEJ-HNNXBMFYSA-N
XLogP2.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 2516185
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 35503338
4-(2,3-dihydroindole-1-carbonyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 113185135
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3S)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8634542
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 113188501
4-[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
CID 113188456
1-(2,5-dimethoxyphenyl)-4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55851376
(4S)-1-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 9396068
methyl 1-[(3R)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9396744
(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 26290450
(4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 94021989
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one (CID 9395508) is (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one is COc1ccc(OC)c(N2C[C@@H](C(=O)N3CCc4ccccc43)CC2=O)c1.
What is the InChIKey of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one?
The InChIKey is RGVXSIGRTGZHEJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-16-7-8-19(27-2)18(12-16)23-13-15(11-20(23)24)21(25)22-10-9-14-5-3-4-6-17(14)22/h3-8,12,15H,9-11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one?
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 9395508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).