(4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one

C8H13NO2 — CID 13275913

IUPAC(4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one
SMILESC=C(C)/C(=N/O)C(=O)C(C)C
InChIInChI=1S/C8H13NO2/c1-5(2)7(9-11)8(10)6(3)4/h6,11H,1H2,2-4H3/b9-7-
InChIKeyJANBSXZBDKURIG-CLFYSBASSA-N
MW155.20 g/mol
LogP1.62
Rot. Bonds3

About (4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one

(4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one (PubChem CID 13275913) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one.

Molecular Properties

Compound Name(4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one
PubChem CID13275913
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one
SMILESC=C(C)/C(=N/O)C(=O)C(C)C
InChIInChI=1S/C8H13NO2/c1-5(2)7(9-11)8(10)6(3)4/h6,11H,1H2,2-4H3/b9-7-
InChIKeyJANBSXZBDKURIG-CLFYSBASSA-N
XLogP1.62
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-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 (4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one?
The IUPAC name of (4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one (CID 13275913) is (4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one.
What is the SMILES notation for (4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one?
The canonical SMILES for (4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one is C=C(C)/C(=N/O)C(=O)C(C)C.
What is the InChIKey of (4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one?
The InChIKey is JANBSXZBDKURIG-CLFYSBASSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)7(9-11)8(10)6(3)4/h6,11H,1H2,2-4H3/b9-7-.
What are the key properties of (4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one?
(4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one has a molecular weight of 155.20 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-hydroxyimino-2,5-dimethylhex-5-en-3-one is sourced from PubChem (CID 13275913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).