potassium N-oxido-1H-indole-2-carboxamide

C9H7KN2O2 — CID 23661896

IUPACpotassium N-oxido-1H-indole-2-carboxamide
SMILESO=C(N[O-])c1cc2ccccc2[nH]1.[K+]
InChIInChI=1S/C9H7N2O2.K/c12-9(11-13)8-5-6-3-1-2-4-7(6)10-8;/h1-5H,(H2-,10,11,12,13);/q-1;+1
InChIKeyNBQNBOHPXXBLJJ-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.60
Rot. Bonds1

About potassium N-oxido-1H-indole-2-carboxamide

potassium N-oxido-1H-indole-2-carboxamide (PubChem CID 23661896) has the molecular formula C9H7KN2O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is potassium N-oxido-1H-indole-2-carboxamide.

Molecular Properties

Compound Namepotassium N-oxido-1H-indole-2-carboxamide
PubChem CID23661896
Molecular FormulaC9H7KN2O2
Molecular Weight214.27 g/mol
Exact Mass214.01
IUPAC Namepotassium N-oxido-1H-indole-2-carboxamide
SMILESO=C(N[O-])c1cc2ccccc2[nH]1.[K+]
InChIInChI=1S/C9H7N2O2.K/c12-9(11-13)8-5-6-3-1-2-4-7(6)10-8;/h1-5H,(H2-,10,11,12,13);/q-1;+1
InChIKeyNBQNBOHPXXBLJJ-UHFFFAOYSA-N
XLogP-1.60
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(sulfinatocarbamoyl)-1H-indole
CID 174607158
(1H-indole-2-carbonylamino)thiourea
CID 15483527
N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indole-2-carboxamide
CID 115587298
1H-indole-2-carbothioic S-acid
CID 4713092
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
ethane;1H-indole-2-carboxylic acid
CID 91052830
N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386

Frequently Asked Questions

What is the IUPAC name of potassium N-oxido-1H-indole-2-carboxamide?
The IUPAC name of potassium N-oxido-1H-indole-2-carboxamide (CID 23661896) is potassium N-oxido-1H-indole-2-carboxamide.
What is the SMILES notation for potassium N-oxido-1H-indole-2-carboxamide?
The canonical SMILES for potassium N-oxido-1H-indole-2-carboxamide is O=C(N[O-])c1cc2ccccc2[nH]1.[K+].
What is the InChIKey of potassium N-oxido-1H-indole-2-carboxamide?
The InChIKey is NBQNBOHPXXBLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2O2.K/c12-9(11-13)8-5-6-3-1-2-4-7(6)10-8;/h1-5H,(H2-,10,11,12,13);/q-1;+1.
What are the key properties of potassium N-oxido-1H-indole-2-carboxamide?
potassium N-oxido-1H-indole-2-carboxamide has a molecular weight of 214.27 g/mol, XLogP of -1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-oxido-1H-indole-2-carboxamide is sourced from PubChem (CID 23661896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).