(Z)-2-imino-3,4-dimethylnon-3-en-5-one

C11H19NO — CID 146245342

IUPAC(Z)-2-imino-3,4-dimethylnon-3-en-5-one
SMILES[H]/N=C(C)/C(C)=C(/C)C(=O)CCCC
InChIInChI=1S/C11H19NO/c1-5-6-7-11(13)9(3)8(2)10(4)12/h12H,5-7H2,1-4H3/b9-8-,12-10+
InChIKeyDYEXMFWVSFOQLD-LVQHWDRTSA-N
MW181.28 g/mol
LogP3.12
Rot. Bonds5

About (Z)-2-imino-3,4-dimethylnon-3-en-5-one

(Z)-2-imino-3,4-dimethylnon-3-en-5-one (PubChem CID 146245342) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-2-imino-3,4-dimethylnon-3-en-5-one.

Molecular Properties

Compound Name(Z)-2-imino-3,4-dimethylnon-3-en-5-one
PubChem CID146245342
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(Z)-2-imino-3,4-dimethylnon-3-en-5-one
SMILES[H]/N=C(C)/C(C)=C(/C)C(=O)CCCC
InChIInChI=1S/C11H19NO/c1-5-6-7-11(13)9(3)8(2)10(4)12/h12H,5-7H2,1-4H3/b9-8-,12-10+
InChIKeyDYEXMFWVSFOQLD-LVQHWDRTSA-N
XLogP3.12
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-imino-3,4-dimethylnon-3-en-5-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 (Z)-2-imino-3,4-dimethylnon-3-en-5-one?
The IUPAC name of (Z)-2-imino-3,4-dimethylnon-3-en-5-one (CID 146245342) is (Z)-2-imino-3,4-dimethylnon-3-en-5-one.
What is the SMILES notation for (Z)-2-imino-3,4-dimethylnon-3-en-5-one?
The canonical SMILES for (Z)-2-imino-3,4-dimethylnon-3-en-5-one is [H]/N=C(C)/C(C)=C(/C)C(=O)CCCC.
What is the InChIKey of (Z)-2-imino-3,4-dimethylnon-3-en-5-one?
The InChIKey is DYEXMFWVSFOQLD-LVQHWDRTSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-7-11(13)9(3)8(2)10(4)12/h12H,5-7H2,1-4H3/b9-8-,12-10+.
What are the key properties of (Z)-2-imino-3,4-dimethylnon-3-en-5-one?
(Z)-2-imino-3,4-dimethylnon-3-en-5-one has a molecular weight of 181.28 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-imino-3,4-dimethylnon-3-en-5-one is sourced from PubChem (CID 146245342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).