2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide

C6H7N3O2 — CID 177164667

IUPAC2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide
SMILESNC(=O)C(=NO)c1ccc[nH]1
InChIInChI=1S/C6H7N3O2/c7-6(10)5(9-11)4-2-1-3-8-4/h1-3,8,11H,(H2,7,10)
InChIKeyHJRLFELMANZBLA-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.32
Rot. Bonds2

About 2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide

2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 177164667) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound Name2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide
PubChem CID177164667
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide
SMILESNC(=O)C(=NO)c1ccc[nH]1
InChIInChI=1S/C6H7N3O2/c7-6(10)5(9-11)4-2-1-3-8-4/h1-3,8,11H,(H2,7,10)
InChIKeyHJRLFELMANZBLA-UHFFFAOYSA-N
XLogP-0.32
TPSA91.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one
CID 130953558
(115N)1H-pyrrole-2-carboxylic acid
CID 58083588
sodium 1H-pyrrole-2-carboxylate
CID 23665788
gold(1+);1H-pyrrole-2-carboxylate
CID 175933038
chromium(3+);tris(1H-pyrrole-2-carboxylate)
CID 161170868
N'-tert-butyl-1H-pyrrole-2-carboximidamide
CID 137001579
(2Z)-2-hydroxyimino-2-pyridin-2-ylacetamide
CID 140560701
2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone
CID 139244757
2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole
CID 132819412
3-amino-2-[N-[(3S,7R)-5-hydroxy-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]-C-(1H-pyrrol-2-yl)carbonimidoyl]prop-2-enamide
CID 173475628
4-(1H-pyrrole-2-carbonyl)benzoic acid
CID 86245125
(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone
CID 10198128

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of 2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide (CID 177164667) is 2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for 2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for 2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide is NC(=O)C(=NO)c1ccc[nH]1.
What is the InChIKey of 2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is HJRLFELMANZBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c7-6(10)5(9-11)4-2-1-3-8-4/h1-3,8,11H,(H2,7,10).
What are the key properties of 2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide?
2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 153.14 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 177164667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).