(1Z)-1-hydroxyiminopentan-2-one

C5H9NO2 — CID 6445871

IUPAC(1Z)-1-hydroxyiminopentan-2-one
SMILESCCCC(=O)/C=N\O
InChIInChI=1S/C5H9NO2/c1-2-3-5(7)4-6-8/h4,8H,2-3H2,1H3/b6-4-
InChIKeyUVJDVGWLIBOWQP-XQRVVYSFSA-N
MW115.13 g/mol
LogP0.82
Rot. Bonds3

About (1Z)-1-hydroxyiminopentan-2-one

(1Z)-1-hydroxyiminopentan-2-one (PubChem CID 6445871) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (1Z)-1-hydroxyiminopentan-2-one.

Molecular Properties

Compound Name(1Z)-1-hydroxyiminopentan-2-one
PubChem CID6445871
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(1Z)-1-hydroxyiminopentan-2-one
SMILESCCCC(=O)/C=N\O
InChIInChI=1S/C5H9NO2/c1-2-3-5(7)4-6-8/h4,8H,2-3H2,1H3/b6-4-
InChIKeyUVJDVGWLIBOWQP-XQRVVYSFSA-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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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-hydroxyiminopentan-2-one?
The IUPAC name of (1Z)-1-hydroxyiminopentan-2-one (CID 6445871) is (1Z)-1-hydroxyiminopentan-2-one.
What is the SMILES notation for (1Z)-1-hydroxyiminopentan-2-one?
The canonical SMILES for (1Z)-1-hydroxyiminopentan-2-one is CCCC(=O)/C=N\O.
What is the InChIKey of (1Z)-1-hydroxyiminopentan-2-one?
The InChIKey is UVJDVGWLIBOWQP-XQRVVYSFSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-3-5(7)4-6-8/h4,8H,2-3H2,1H3/b6-4-.
What are the key properties of (1Z)-1-hydroxyiminopentan-2-one?
(1Z)-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 (1Z)-1-hydroxyiminopentan-2-one is sourced from PubChem (CID 6445871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).