N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride

C7H10ClN — CID 134227772

IUPACN-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride
SMILESC=C(C)/C=C\N=C(/C)Cl
InChIInChI=1S/C7H10ClN/c1-6(2)4-5-9-7(3)8/h4-5H,1H2,2-3H3/b5-4-,9-7+
InChIKeyHPSLQMAIIJCDOX-XEQCUQEESA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds2

About N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride

N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride (PubChem CID 134227772) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride.

Molecular Properties

Compound NameN-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride
PubChem CID134227772
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC NameN-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride
SMILESC=C(C)/C=C\N=C(/C)Cl
InChIInChI=1S/C7H10ClN/c1-6(2)4-5-9-7(3)8/h4-5H,1H2,2-3H3/b5-4-,9-7+
InChIKeyHPSLQMAIIJCDOX-XEQCUQEESA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.73
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 N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl 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 N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride?
The IUPAC name of N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride (CID 134227772) is N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride.
What is the SMILES notation for N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride?
The canonical SMILES for N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride is C=C(C)/C=C\N=C(/C)Cl.
What is the InChIKey of N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride?
The InChIKey is HPSLQMAIIJCDOX-XEQCUQEESA-N. The full InChI is InChI=1S/C7H10ClN/c1-6(2)4-5-9-7(3)8/h4-5H,1H2,2-3H3/b5-4-,9-7+.
What are the key properties of N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride?
N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride has a molecular weight of 143.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride is sourced from PubChem (CID 134227772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).