(3Z)-4-amino-3-methoxyiminobutan-2-one

C5H10N2O2 — CID 118219539

IUPAC(3Z)-4-amino-3-methoxyiminobutan-2-one
SMILESCO/N=C(/CN)C(C)=O
InChIInChI=1S/C5H10N2O2/c1-4(8)5(3-6)7-9-2/h3,6H2,1-2H3/b7-5-
InChIKeyPUGSKTFPMGCEMQ-ALCCZGGFSA-N
MW130.15 g/mol
LogP-0.46
Rot. Bonds3

About (3Z)-4-amino-3-methoxyiminobutan-2-one

(3Z)-4-amino-3-methoxyiminobutan-2-one (PubChem CID 118219539) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (3Z)-4-amino-3-methoxyiminobutan-2-one.

Molecular Properties

Compound Name(3Z)-4-amino-3-methoxyiminobutan-2-one
PubChem CID118219539
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(3Z)-4-amino-3-methoxyiminobutan-2-one
SMILESCO/N=C(/CN)C(C)=O
InChIInChI=1S/C5H10N2O2/c1-4(8)5(3-6)7-9-2/h3,6H2,1-2H3/b7-5-
InChIKeyPUGSKTFPMGCEMQ-ALCCZGGFSA-N
XLogP-0.46
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-4-amino-3-methoxyiminobutan-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

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-amino-3-methoxyiminobutan-2-one?
The IUPAC name of (3Z)-4-amino-3-methoxyiminobutan-2-one (CID 118219539) is (3Z)-4-amino-3-methoxyiminobutan-2-one.
What is the SMILES notation for (3Z)-4-amino-3-methoxyiminobutan-2-one?
The canonical SMILES for (3Z)-4-amino-3-methoxyiminobutan-2-one is CO/N=C(/CN)C(C)=O.
What is the InChIKey of (3Z)-4-amino-3-methoxyiminobutan-2-one?
The InChIKey is PUGSKTFPMGCEMQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-4(8)5(3-6)7-9-2/h3,6H2,1-2H3/b7-5-.
What are the key properties of (3Z)-4-amino-3-methoxyiminobutan-2-one?
(3Z)-4-amino-3-methoxyiminobutan-2-one has a molecular weight of 130.15 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-amino-3-methoxyiminobutan-2-one is sourced from PubChem (CID 118219539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).