5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide

C6H5N3O2 — CID 130738525

IUPAC5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide
SMILESN#Cc1cc(C(=O)NO)c[nH]1
InChIInChI=1S/C6H5N3O2/c7-2-5-1-4(3-8-5)6(10)9-11/h1,3,8,11H,(H,9,10)
InChIKeyZQUQUIXJMJWJNU-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.01
Rot. Bonds1

About 5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide

5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide (PubChem CID 130738525) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide
PubChem CID130738525
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide
SMILESN#Cc1cc(C(=O)NO)c[nH]1
InChIInChI=1S/C6H5N3O2/c7-2-5-1-4(3-8-5)6(10)9-11/h1,3,8,11H,(H,9,10)
InChIKeyZQUQUIXJMJWJNU-UHFFFAOYSA-N
XLogP0.01
TPSA88.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-1H-pyrrole-3-carboxamide
CID 99637176
4-(4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carbonyl)-1H-pyrrole-2-carbonitrile
CID 154841612
5-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-3-carboxamide
CID 128997480
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide
CID 75503898
4-[(2S)-2-propanoylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 99856055
5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide
CID 130678634
2-(2-oxoazepan-1-yl)ethyl 5-cyano-1H-pyrrole-3-carboxylate
CID 86784160
4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 124615496
2-cyano-6-sulfanylidene-1H-pyridine-4-carboxylic acid
CID 131143689
4-[3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 126811571
4-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 100675776
2-cyano-6-sulfanylidene-1H-pyridine-4-carbonyl chloride
CID 131009195

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide (CID 130738525) is 5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide is N#Cc1cc(C(=O)NO)c[nH]1.
What is the InChIKey of 5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide?
The InChIKey is ZQUQUIXJMJWJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c7-2-5-1-4(3-8-5)6(10)9-11/h1,3,8,11H,(H,9,10).
What are the key properties of 5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide?
5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide has a molecular weight of 151.12 g/mol, XLogP of 0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-hydroxy-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 130738525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).