7aH-indole-2-carboxamide

C9H8N2O — CID 69053470

IUPAC7aH-indole-2-carboxamide
SMILESNC(=O)C1=NC2C=CC=CC2=C1
InChIInChI=1S/C9H8N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,7H,(H2,10,12)
InChIKeyXZRYTCBMOQQPDU-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.35
Rot. Bonds1

About 7aH-indole-2-carboxamide

7aH-indole-2-carboxamide (PubChem CID 69053470) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 7aH-indole-2-carboxamide.

Molecular Properties

Compound Name7aH-indole-2-carboxamide
PubChem CID69053470
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name7aH-indole-2-carboxamide
SMILESNC(=O)C1=NC2C=CC=CC2=C1
InChIInChI=1S/C9H8N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,7H,(H2,10,12)
InChIKeyXZRYTCBMOQQPDU-UHFFFAOYSA-N
XLogP0.35
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7aH-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 7aH-indole-2-carboxamide?
The IUPAC name of 7aH-indole-2-carboxamide (CID 69053470) is 7aH-indole-2-carboxamide.
What is the SMILES notation for 7aH-indole-2-carboxamide?
The canonical SMILES for 7aH-indole-2-carboxamide is NC(=O)C1=NC2C=CC=CC2=C1.
What is the InChIKey of 7aH-indole-2-carboxamide?
The InChIKey is XZRYTCBMOQQPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,7H,(H2,10,12).
What are the key properties of 7aH-indole-2-carboxamide?
7aH-indole-2-carboxamide has a molecular weight of 160.18 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7aH-indole-2-carboxamide is sourced from PubChem (CID 69053470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).