4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one

C19H16N2O — CID 134136349

IUPAC4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one
SMILESCn1cc(C2=C(c3ccccc3)CNC2=O)c2ccccc21
InChIInChI=1S/C19H16N2O/c1-21-12-16(14-9-5-6-10-17(14)21)18-15(11-20-19(18)22)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyVSXFETPKOYSIHI-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.22
Rot. Bonds2

About 4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one

4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one (PubChem CID 134136349) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one
PubChem CID134136349
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one
SMILESCn1cc(C2=C(c3ccccc3)CNC2=O)c2ccccc21
InChIInChI=1S/C19H16N2O/c1-21-12-16(14-9-5-6-10-17(14)21)18-15(11-20-19(18)22)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyVSXFETPKOYSIHI-UHFFFAOYSA-N
XLogP3.22
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one (CID 134136349) is 4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one is Cn1cc(C2=C(c3ccccc3)CNC2=O)c2ccccc21.
What is the InChIKey of 4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one?
The InChIKey is VSXFETPKOYSIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-21-12-16(14-9-5-6-10-17(14)21)18-15(11-20-19(18)22)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,20,22).
What are the key properties of 4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one?
4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one has a molecular weight of 288.35 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 134136349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).