N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride

C8H12ClN — CID 89250882

IUPACN-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride
SMILESC=C/C(=C\N=C(/C)Cl)CC
InChIInChI=1S/C8H12ClN/c1-4-8(5-2)6-10-7(3)9/h4,6H,1,5H2,2-3H3/b8-6+,10-7+
InChIKeyGVQFYCRBQRLLHR-NBANWCDVSA-N
MW157.64 g/mol
LogP3.12
Rot. Bonds3

About N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride

N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride (PubChem CID 89250882) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride.

Molecular Properties

Compound NameN-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride
PubChem CID89250882
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC NameN-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride
SMILESC=C/C(=C\N=C(/C)Cl)CC
InChIInChI=1S/C8H12ClN/c1-4-8(5-2)6-10-7(3)9/h4,6H,1,5H2,2-3H3/b8-6+,10-7+
InChIKeyGVQFYCRBQRLLHR-NBANWCDVSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 53.12
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'}

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Related Compounds

N-[(Z)-3-methylidenepent-1-enyl]ethanimine
CID 89125593
N-[(1Z)-3-chloro-2-methylbuta-1,3-dienyl]propanimidoyl chloride
CID 89208470
N-[(1Z,3E)-4-chloro-2-ethylbuta-1,3-dienyl]methanimine
CID 118048882
N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride
CID 118086288
N-[(1E)-2-chloro-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123347527
N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine
CID 123473803
N-[(1E)-2-chloro-3-methylbuta-1,3-dienyl]-2-methylidenepent-4-en-1-imine
CID 129075216
N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride
CID 134227772
N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine
CID 142061394
(2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride
CID 142254741
N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride
CID 143209454
ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane
CID 145089572

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride?
The IUPAC name of N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride (CID 89250882) is N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride.
What is the SMILES notation for N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride?
The canonical SMILES for N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride is C=C/C(=C\N=C(/C)Cl)CC.
What is the InChIKey of N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride?
The InChIKey is GVQFYCRBQRLLHR-NBANWCDVSA-N. The full InChI is InChI=1S/C8H12ClN/c1-4-8(5-2)6-10-7(3)9/h4,6H,1,5H2,2-3H3/b8-6+,10-7+.
What are the key properties of N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride?
N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride has a molecular weight of 157.64 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride is sourced from PubChem (CID 89250882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).