3H-benzo[e]indole-2-carboxamide

C13H10N2O — CID 69052139

IUPAC3H-benzo[e]indole-2-carboxamide
SMILESNC(=O)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C13H10N2O/c14-13(16)12-7-10-9-4-2-1-3-8(9)5-6-11(10)15-12/h1-7,15H,(H2,14,16)
InChIKeyKVCXKRWIIXMTIV-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.42
Rot. Bonds1

About 3H-benzo[e]indole-2-carboxamide

3H-benzo[e]indole-2-carboxamide (PubChem CID 69052139) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 3H-benzo[e]indole-2-carboxamide.

Molecular Properties

Compound Name3H-benzo[e]indole-2-carboxamide
PubChem CID69052139
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name3H-benzo[e]indole-2-carboxamide
SMILESNC(=O)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C13H10N2O/c14-13(16)12-7-10-9-4-2-1-3-8(9)5-6-11(10)15-12/h1-7,15H,(H2,14,16)
InChIKeyKVCXKRWIIXMTIV-UHFFFAOYSA-N
XLogP2.42
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3H-benzo[e]indole-2-carboxamide 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 3H-benzo[e]indole-2-carboxamide?
The IUPAC name of 3H-benzo[e]indole-2-carboxamide (CID 69052139) is 3H-benzo[e]indole-2-carboxamide.
What is the SMILES notation for 3H-benzo[e]indole-2-carboxamide?
The canonical SMILES for 3H-benzo[e]indole-2-carboxamide is NC(=O)c1cc2c(ccc3ccccc32)[nH]1.
What is the InChIKey of 3H-benzo[e]indole-2-carboxamide?
The InChIKey is KVCXKRWIIXMTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-13(16)12-7-10-9-4-2-1-3-8(9)5-6-11(10)15-12/h1-7,15H,(H2,14,16).
What are the key properties of 3H-benzo[e]indole-2-carboxamide?
3H-benzo[e]indole-2-carboxamide has a molecular weight of 210.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzo[e]indole-2-carboxamide is sourced from PubChem (CID 69052139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).