N-oxo-1H-indole-3-carboxamide

C9H6N2O2 — CID 88522766

IUPACN-oxo-1H-indole-3-carboxamide
SMILESO=NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C9H6N2O2/c12-9(11-13)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H
InChIKeyNOKSPXAIPWRDLS-UHFFFAOYSA-N
MW174.16 g/mol
LogP2.07
Rot. Bonds1

About N-oxo-1H-indole-3-carboxamide

N-oxo-1H-indole-3-carboxamide (PubChem CID 88522766) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is N-oxo-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-oxo-1H-indole-3-carboxamide
PubChem CID88522766
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC NameN-oxo-1H-indole-3-carboxamide
SMILESO=NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C9H6N2O2/c12-9(11-13)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H
InChIKeyNOKSPXAIPWRDLS-UHFFFAOYSA-N
XLogP2.07
TPSA62.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dioxo-1H-quinoline-3-carboxamide
CID 118327935
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
sodium 1H-indole-3-carboxylate
CID 23698293
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700
(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 135474608
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
CID 147638405
cyclopropyl(1H-indol-3-yl)methanone
CID 965839

Frequently Asked Questions

What is the IUPAC name of N-oxo-1H-indole-3-carboxamide?
The IUPAC name of N-oxo-1H-indole-3-carboxamide (CID 88522766) is N-oxo-1H-indole-3-carboxamide.
What is the SMILES notation for N-oxo-1H-indole-3-carboxamide?
The canonical SMILES for N-oxo-1H-indole-3-carboxamide is O=NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-oxo-1H-indole-3-carboxamide?
The InChIKey is NOKSPXAIPWRDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-9(11-13)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H.
What are the key properties of N-oxo-1H-indole-3-carboxamide?
N-oxo-1H-indole-3-carboxamide has a molecular weight of 174.16 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxo-1H-indole-3-carboxamide is sourced from PubChem (CID 88522766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).