(1Z)-1-oxidoiminopropan-2-one

C3H4NO2- — CID 101122719

IUPAC(1Z)-1-oxidoiminopropan-2-one
SMILESCC(=O)/C=N\[O-]
InChIInChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/p-1/b4-2-
InChIKeyOVGLVOLWBBGQHS-RQOWECAXSA-M
MW86.07 g/mol
LogP0.14
Rot. Bonds1

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

(1Z)-1-oxidoiminopropan-2-one (PubChem CID 101122719) has the molecular formula C3H4NO2- and a molecular weight of 86.07 g/mol. Its IUPAC name is (1Z)-1-oxidoiminopropan-2-one.

Molecular Properties

Compound Name(1Z)-1-oxidoiminopropan-2-one
PubChem CID101122719
Molecular FormulaC3H4NO2-
Molecular Weight86.07 g/mol
Exact Mass86.02
IUPAC Name(1Z)-1-oxidoiminopropan-2-one
SMILESCC(=O)/C=N\[O-]
InChIInChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/p-1/b4-2-
InChIKeyOVGLVOLWBBGQHS-RQOWECAXSA-M
XLogP0.14
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.07
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', '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-oxidoiminopropan-2-one?
The IUPAC name of (1Z)-1-oxidoiminopropan-2-one (CID 101122719) is (1Z)-1-oxidoiminopropan-2-one.
What is the SMILES notation for (1Z)-1-oxidoiminopropan-2-one?
The canonical SMILES for (1Z)-1-oxidoiminopropan-2-one is CC(=O)/C=N\[O-].
What is the InChIKey of (1Z)-1-oxidoiminopropan-2-one?
The InChIKey is OVGLVOLWBBGQHS-RQOWECAXSA-M. The full InChI is InChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/p-1/b4-2-.
What are the key properties of (1Z)-1-oxidoiminopropan-2-one?
(1Z)-1-oxidoiminopropan-2-one has a molecular weight of 86.07 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-oxidoiminopropan-2-one is sourced from PubChem (CID 101122719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).