4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one

C18H16N2O — CID 167752851

IUPAC4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(c2cccc(-c3cc4ccccc4[nH]3)c2)CN1
InChIInChI=1S/C18H16N2O/c21-18-10-15(11-19-18)12-5-3-6-13(8-12)17-9-14-4-1-2-7-16(14)20-17/h1-9,15,20H,10-11H2,(H,19,21)
InChIKeyNQCWRPYCSYTWKG-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.44
Rot. Bonds2

About 4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one

4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one (PubChem CID 167752851) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one
PubChem CID167752851
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(c2cccc(-c3cc4ccccc4[nH]3)c2)CN1
InChIInChI=1S/C18H16N2O/c21-18-10-15(11-19-18)12-5-3-6-13(8-12)17-9-14-4-1-2-7-16(14)20-17/h1-9,15,20H,10-11H2,(H,19,21)
InChIKeyNQCWRPYCSYTWKG-UHFFFAOYSA-N
XLogP3.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one 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

[3-(5-oxopyrrolidin-3-yl)phenyl]azanium
CID 140682404
cyclohexyl-[4-[3-(1H-indol-2-yl)phenyl]cycloheptyl]methanone
CID 143816005
4-phenylpyrrolidin-2-one;hydrate
CID 171699854
(4S)-4-(3-aminophenyl)pyrrolidin-2-one
CID 86315682
4-(3-hydroxyphenyl)pyrrolidin-2-one
CID 23345041
4-(3-isocyanatophenyl)pyrrolidin-2-one
CID 169353625
4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one
CID 14529704
4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66106950
2-pyridin-3-yl-1H-indole
CID 606677
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
2,7-diphenyl-1,4-diazepan-5-one
CID 10264918
(2S,7S)-2,7-diphenyl-1,4-diazepan-5-one
CID 71351344

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one (CID 167752851) is 4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one is O=C1CC(c2cccc(-c3cc4ccccc4[nH]3)c2)CN1.
What is the InChIKey of 4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one?
The InChIKey is NQCWRPYCSYTWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18-10-15(11-19-18)12-5-3-6-13(8-12)17-9-14-4-1-2-7-16(14)20-17/h1-9,15,20H,10-11H2,(H,19,21).
What are the key properties of 4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one?
4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-indol-2-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 167752851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).