(1Z)-1-hydroxyiminopropan-2-one

C3H5NO2 — CID 6399090

IUPAC(1Z)-1-hydroxyiminopropan-2-one
SMILESCC(=O)/C=N\O
InChIInChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/b4-2-
InChIKeyOVGLVOLWBBGQHS-RQOWECAXSA-N
MW87.08 g/mol
LogP0.04
Rot. Bonds1

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

(1Z)-1-hydroxyiminopropan-2-one (PubChem CID 6399090) has the molecular formula C3H5NO2 and a molecular weight of 87.08 g/mol. Its IUPAC name is (1Z)-1-hydroxyiminopropan-2-one.

Molecular Properties

Compound Name(1Z)-1-hydroxyiminopropan-2-one
PubChem CID6399090
Molecular FormulaC3H5NO2
Molecular Weight87.08 g/mol
Exact Mass87.03
IUPAC Name(1Z)-1-hydroxyiminopropan-2-one
SMILESCC(=O)/C=N\O
InChIInChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/b4-2-
InChIKeyOVGLVOLWBBGQHS-RQOWECAXSA-N
XLogP0.04
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 50.04
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'}

Analyze (1Z)-1-hydroxyiminopropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 6399095
CID 6399095
CID 6399213
CID 6399213
CID 9570538
CID 9570538
CID 9554203
CID 9554203
CID 6399233
CID 6399233
CID 13237069
CID 13237069
CID 6399789
CID 6399789
CID 73179297
CID 73179297
CID 20193310
CID 20193310
CID 101122719
CID 101122719
CID 129628597
CID 129628597
CID 129632306
CID 129632306

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-hydroxyiminopropan-2-one?
The IUPAC name of (1Z)-1-hydroxyiminopropan-2-one (CID 6399090) is (1Z)-1-hydroxyiminopropan-2-one.
What is the SMILES notation for (1Z)-1-hydroxyiminopropan-2-one?
The canonical SMILES for (1Z)-1-hydroxyiminopropan-2-one is CC(=O)/C=N\O.
What is the InChIKey of (1Z)-1-hydroxyiminopropan-2-one?
The InChIKey is OVGLVOLWBBGQHS-RQOWECAXSA-N. The full InChI is InChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/b4-2-.
What are the key properties of (1Z)-1-hydroxyiminopropan-2-one?
(1Z)-1-hydroxyiminopropan-2-one has a molecular weight of 87.08 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-hydroxyiminopropan-2-one is sourced from PubChem (CID 6399090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).