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

C6H8ClN — CID 89056970

IUPACN-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride
SMILESC=C/C=C\N=C(/C)Cl
InChIInChI=1S/C6H8ClN/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4-,8-6+
InChIKeyHVGQGJXPVJSGKA-GSGSLZOQSA-N
MW129.59 g/mol
LogP2.34
Rot. Bonds2

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

N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride (PubChem CID 89056970) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride
PubChem CID89056970
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC NameN-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride
SMILESC=C/C=C\N=C(/C)Cl
InChIInChI=1S/C6H8ClN/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4-,8-6+
InChIKeyHVGQGJXPVJSGKA-GSGSLZOQSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.34
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)-buta-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

Related Compounds

N-[(1Z)-buta-1,3-dienyl]butan-2-imine
CID 142112981
1-chloroethyl N-[(1E)-buta-1,3-dienyl]ethanimidate
CID 155160330
N-[(1Z)-buta-1,3-dienyl]-4-methylpentan-2-imine
CID 129029808
acetyl chloride;penta-1,3-diene
CID 175604931
N-[(1Z)-buta-1,3-dienyl]methanimine;ethane
CID 90844285
N-(4-methoxy-2-methyl-3-methylidenehepta-1,4,6-trienyl)ethanimidoyl chloride
CID 123361427
N-[(1Z)-buta-1,3-dienyl]-4-hexylundec-1-en-3-imine
CID 138554241
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride
CID 143343534
N-(ethyliminomethyl)ethanimidoyl chloride
CID 164996228
2-methylpenta-1,3-diene;penta-1,3-diene
CID 158114840
N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride
CID 142861453

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride (CID 89056970) is N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride is C=C/C=C\N=C(/C)Cl.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride?
The InChIKey is HVGQGJXPVJSGKA-GSGSLZOQSA-N. The full InChI is InChI=1S/C6H8ClN/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4-,8-6+.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride?
N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride has a molecular weight of 129.59 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride is sourced from PubChem (CID 89056970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).