(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one

C6H12N2O2 — CID 6939034

IUPAC(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one
SMILESCC(=O)/C(CN(C)C)=N\O
InChIInChI=1S/C6H12N2O2/c1-5(9)6(7-10)4-8(2)3/h10H,4H2,1-3H3/b7-6-
InChIKeyZCDDZFXNXKTHTN-SREVYHEPSA-N
MW144.17 g/mol
LogP-0.03
Rot. Bonds3

About (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one

(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one (PubChem CID 6939034) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one.

Molecular Properties

Compound Name(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one
PubChem CID6939034
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one
SMILESCC(=O)/C(CN(C)C)=N\O
InChIInChI=1S/C6H12N2O2/c1-5(9)6(7-10)4-8(2)3/h10H,4H2,1-3H3/b7-6-
InChIKeyZCDDZFXNXKTHTN-SREVYHEPSA-N
XLogP-0.03
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.03
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-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-(dimethylamino)-3-hydroxyiminobutan-2-one?
The IUPAC name of (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one (CID 6939034) is (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one.
What is the SMILES notation for (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one?
The canonical SMILES for (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one is CC(=O)/C(CN(C)C)=N\O.
What is the InChIKey of (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one?
The InChIKey is ZCDDZFXNXKTHTN-SREVYHEPSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5(9)6(7-10)4-8(2)3/h10H,4H2,1-3H3/b7-6-.
What are the key properties of (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one?
(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one has a molecular weight of 144.17 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one is sourced from PubChem (CID 6939034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).