(4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride

C12H18ClN — CID 155055357

IUPAC(4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride
SMILESC=C/C(=C\C=C(C)C)CC/C(Cl)=N/C
InChIInChI=1S/C12H18ClN/c1-5-11(7-6-10(2)3)8-9-12(13)14-4/h5-7H,1,8-9H2,2-4H3/b11-7+,14-12-
InChIKeyICUKEZBBZRMWLF-HYIMWACQSA-N
MW211.74 g/mol
LogP4.11
Rot. Bonds5

About (4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride

(4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride (PubChem CID 155055357) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is (4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride.

Molecular Properties

Compound Name(4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride
PubChem CID155055357
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name(4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride
SMILESC=C/C(=C\C=C(C)C)CC/C(Cl)=N/C
InChIInChI=1S/C12H18ClN/c1-5-11(7-6-10(2)3)8-9-12(13)14-4/h5-7H,1,8-9H2,2-4H3/b11-7+,14-12-
InChIKeyICUKEZBBZRMWLF-HYIMWACQSA-N
XLogP4.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride 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-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride?
The IUPAC name of (4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride (CID 155055357) is (4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride.
What is the SMILES notation for (4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride?
The canonical SMILES for (4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride is C=C/C(=C\C=C(C)C)CC/C(Cl)=N/C.
What is the InChIKey of (4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride?
The InChIKey is ICUKEZBBZRMWLF-HYIMWACQSA-N. The full InChI is InChI=1S/C12H18ClN/c1-5-11(7-6-10(2)3)8-9-12(13)14-4/h5-7H,1,8-9H2,2-4H3/b11-7+,14-12-.
What are the key properties of (4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride?
(4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride has a molecular weight of 211.74 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride is sourced from PubChem (CID 155055357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).