1-hydroxyiminopentan-2-one

C5H9NO2 — CID 6410471

IUPAC1-hydroxyiminopentan-2-one
SMILESCCCC(=O)C=NO
InChIInChI=1S/C5H9NO2/c1-2-3-5(7)4-6-8/h4,8H,2-3H2,1H3
InChIKeyUVJDVGWLIBOWQP-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.82
Rot. Bonds3

About 1-hydroxyiminopentan-2-one

1-hydroxyiminopentan-2-one (PubChem CID 6410471) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 1-hydroxyiminopentan-2-one.

Molecular Properties

Compound Name1-hydroxyiminopentan-2-one
PubChem CID6410471
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name1-hydroxyiminopentan-2-one
SMILESCCCC(=O)C=NO
InChIInChI=1S/C5H9NO2/c1-2-3-5(7)4-6-8/h4,8H,2-3H2,1H3
InChIKeyUVJDVGWLIBOWQP-UHFFFAOYSA-N
XLogP0.82
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.82
H-Bond Donors ≤ 51
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

(1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride
CID 172954738
[(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium
CID 6412547
(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one
CID 17027005
4-hydroxyimino-N-methyl-3-oxobutanamide
CID 173398159
[(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride
CID 45266307
4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid
CID 69366820
(Z)-1-[(Z)-3-oxohex-1-enyl]sulfanylhex-1-en-3-one
CID 92858248
(Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one
CID 131852545
(NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine
CID 5357072
1,1,2-trideuteriohex-1-en-3-one
CID 171391309
N-(2-oxoheptylidene)methanethioamide
CID 123156883
(E)-7-hydroxy-7-methyloct-5-en-4-one
CID 10997282

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyiminopentan-2-one?
The IUPAC name of 1-hydroxyiminopentan-2-one (CID 6410471) is 1-hydroxyiminopentan-2-one.
What is the SMILES notation for 1-hydroxyiminopentan-2-one?
The canonical SMILES for 1-hydroxyiminopentan-2-one is CCCC(=O)C=NO.
What is the InChIKey of 1-hydroxyiminopentan-2-one?
The InChIKey is UVJDVGWLIBOWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-3-5(7)4-6-8/h4,8H,2-3H2,1H3.
What are the key properties of 1-hydroxyiminopentan-2-one?
1-hydroxyiminopentan-2-one has a molecular weight of 115.13 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyiminopentan-2-one is sourced from PubChem (CID 6410471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).