1H-indole-3-carboxamide

C9H8N2O — CID 2192542

IUPAC1H-indole-3-carboxamide
SMILESNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
InChIKeyLSGKMZLPZFPAIN-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.27
Rot. Bonds1

About 1H-indole-3-carboxamide

1H-indole-3-carboxamide (PubChem CID 2192542) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1H-indole-3-carboxamide.

Molecular Properties

Compound Name1H-indole-3-carboxamide
PubChem CID2192542
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1H-indole-3-carboxamide
SMILESNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
InChIKeyLSGKMZLPZFPAIN-UHFFFAOYSA-N
XLogP1.27
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-indole-3-carboxamide?
The IUPAC name of 1H-indole-3-carboxamide (CID 2192542) is 1H-indole-3-carboxamide.
What is the SMILES notation for 1H-indole-3-carboxamide?
The canonical SMILES for 1H-indole-3-carboxamide is NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indole-3-carboxamide?
The InChIKey is LSGKMZLPZFPAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12).
What are the key properties of 1H-indole-3-carboxamide?
1H-indole-3-carboxamide has a molecular weight of 160.18 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-3-carboxamide is sourced from PubChem (CID 2192542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).