3-(1H-pyrrole-2-carbonyl)indol-2-one

C13H8N2O2 — CID 70386379

IUPAC3-(1H-pyrrole-2-carbonyl)indol-2-one
SMILESO=C1N=c2ccccc2=C1C(=O)c1ccc[nH]1
InChIInChI=1S/C13H8N2O2/c16-12(10-6-3-7-14-10)11-8-4-1-2-5-9(8)15-13(11)17/h1-7,14H
InChIKeyPPTORVVDRDIVFH-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.21
Rot. Bonds2

About 3-(1H-pyrrole-2-carbonyl)indol-2-one

3-(1H-pyrrole-2-carbonyl)indol-2-one (PubChem CID 70386379) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(1H-pyrrole-2-carbonyl)indol-2-one.

Molecular Properties

Compound Name3-(1H-pyrrole-2-carbonyl)indol-2-one
PubChem CID70386379
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name3-(1H-pyrrole-2-carbonyl)indol-2-one
SMILESO=C1N=c2ccccc2=C1C(=O)c1ccc[nH]1
InChIInChI=1S/C13H8N2O2/c16-12(10-6-3-7-14-10)11-8-4-1-2-5-9(8)15-13(11)17/h1-7,14H
InChIKeyPPTORVVDRDIVFH-UHFFFAOYSA-N
XLogP0.21
TPSA62.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1H-pyrrole-2-carbonyl)indol-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

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrole-2-carbonyl)indol-2-one?
The IUPAC name of 3-(1H-pyrrole-2-carbonyl)indol-2-one (CID 70386379) is 3-(1H-pyrrole-2-carbonyl)indol-2-one.
What is the SMILES notation for 3-(1H-pyrrole-2-carbonyl)indol-2-one?
The canonical SMILES for 3-(1H-pyrrole-2-carbonyl)indol-2-one is O=C1N=c2ccccc2=C1C(=O)c1ccc[nH]1.
What is the InChIKey of 3-(1H-pyrrole-2-carbonyl)indol-2-one?
The InChIKey is PPTORVVDRDIVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c16-12(10-6-3-7-14-10)11-8-4-1-2-5-9(8)15-13(11)17/h1-7,14H.
What are the key properties of 3-(1H-pyrrole-2-carbonyl)indol-2-one?
3-(1H-pyrrole-2-carbonyl)indol-2-one has a molecular weight of 224.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrole-2-carbonyl)indol-2-one is sourced from PubChem (CID 70386379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).