(2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride

C8H12ClN — CID 142254741

IUPAC(2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride
SMILESC=C/C(C)=C\C(Cl)=N\CC
InChIInChI=1S/C8H12ClN/c1-4-7(3)6-8(9)10-5-2/h4,6H,1,5H2,2-3H3/b7-6-,10-8-
InChIKeySLPYDDZCJFJLRY-INZNQPOWSA-N
MW157.64 g/mol
LogP2.78
Rot. Bonds3

About (2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride

(2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride (PubChem CID 142254741) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride.

Molecular Properties

Compound Name(2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride
PubChem CID142254741
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride
SMILESC=C/C(C)=C\C(Cl)=N\CC
InChIInChI=1S/C8H12ClN/c1-4-7(3)6-8(9)10-5-2/h4,6H,1,5H2,2-3H3/b7-6-,10-8-
InChIKeySLPYDDZCJFJLRY-INZNQPOWSA-N
XLogP2.78
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 ≤ 52.78
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 (2Z)-N-ethyl-3-methylpenta-2,4-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

Related Compounds

(2E)-2-chloro-N,3-dimethylpenta-2,4-dien-1-imine
CID 88538191
N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride
CID 89250882
(2Z)-N-ethyl-3-methylpenta-2,4-dien-1-imine
CID 89369833
N,5-dimethylhexa-2,5-dienimidoyl chloride
CID 90760612
N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride
CID 123516910
(2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine
CID 134534701
(2E)-N,3-dimethylpenta-2,4-dien-1-imine;ethane
CID 141773876
(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane
CID 142026961
N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride
CID 143209454
(2E,4Z)-N,5-dimethylhepta-2,4,6-trien-1-imine
CID 143444519
(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane
CID 143718007
(2Z)-N,3-dimethylpenta-2,4-dienimidoyl chloride
CID 144468672

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride?
The IUPAC name of (2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride (CID 142254741) is (2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride.
What is the SMILES notation for (2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride?
The canonical SMILES for (2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride is C=C/C(C)=C\C(Cl)=N\CC.
What is the InChIKey of (2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride?
The InChIKey is SLPYDDZCJFJLRY-INZNQPOWSA-N. The full InChI is InChI=1S/C8H12ClN/c1-4-7(3)6-8(9)10-5-2/h4,6H,1,5H2,2-3H3/b7-6-,10-8-.
What are the key properties of (2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride?
(2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride has a molecular weight of 157.64 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride is sourced from PubChem (CID 142254741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).