2H-indole-3-carboxamide

C9H8N2O — CID 124518031

IUPAC2H-indole-3-carboxamide
SMILESNC(=O)C1=c2ccccc2=NC1
InChIInChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-4H,5H2,(H2,10,12)
InChIKeyYQWBUIHLQWTMSR-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.04
Rot. Bonds1

About 2H-indole-3-carboxamide

2H-indole-3-carboxamide (PubChem CID 124518031) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2H-indole-3-carboxamide.

Molecular Properties

Compound Name2H-indole-3-carboxamide
PubChem CID124518031
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2H-indole-3-carboxamide
SMILESNC(=O)C1=c2ccccc2=NC1
InChIInChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-4H,5H2,(H2,10,12)
InChIKeyYQWBUIHLQWTMSR-UHFFFAOYSA-N
XLogP-1.04
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 ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-indole-3-carboxamide?
The IUPAC name of 2H-indole-3-carboxamide (CID 124518031) is 2H-indole-3-carboxamide.
What is the SMILES notation for 2H-indole-3-carboxamide?
The canonical SMILES for 2H-indole-3-carboxamide is NC(=O)C1=c2ccccc2=NC1.
What is the InChIKey of 2H-indole-3-carboxamide?
The InChIKey is YQWBUIHLQWTMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-4H,5H2,(H2,10,12).
What are the key properties of 2H-indole-3-carboxamide?
2H-indole-3-carboxamide has a molecular weight of 160.18 g/mol, XLogP of -1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-indole-3-carboxamide is sourced from PubChem (CID 124518031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).