(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride

C8H12ClN — CID 142245103

IUPAC(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
SMILESC=C/N=C(Cl)/C(=C\C)CC
InChIInChI=1S/C8H12ClN/c1-4-7(5-2)8(9)10-6-3/h4,6H,3,5H2,1-2H3/b7-4-,10-8-
InChIKeyYROPAVFPELIECD-NIQHGUSQSA-N
MW157.64 g/mol
LogP3.12
Rot. Bonds3

About (Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride

(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride (PubChem CID 142245103) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
PubChem CID142245103
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
SMILESC=C/N=C(Cl)/C(=C\C)CC
InChIInChI=1S/C8H12ClN/c1-4-7(5-2)8(9)10-6-3/h4,6H,3,5H2,1-2H3/b7-4-,10-8-
InChIKeyYROPAVFPELIECD-NIQHGUSQSA-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'}

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Related Compounds

2-Chloro-3,4-di(ethylidene)-5-methylpyridine
CID 91064474
1-Chloro-6,7-dihydroisoquinoline
CID 123525909
2-methyl-N-pent-3-enylprop-2-enimidoyl chloride
CID 123530294
N,2-dimethylhexa-2,5-dienimidoyl chloride
CID 123718919
(Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride
CID 129215809
(E)-2-(1-chloroethyl)-N-ethenylpent-2-en-1-imine
CID 132001840
(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine
CID 132264479
4-Chloro-4,6-dimethylazepine
CID 141930021
5-chloro-6-methyl-4H-azepine
CID 141986017
ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
CID 142245102
N-[(E)-but-1-enyl]-2-propan-2-ylidenepentanimidoyl chloride;ethane
CID 142934741
ethane;3-methyl-N-[(Z)-prop-1-enyl]but-3-enimidoyl chloride
CID 143610020

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride?
The IUPAC name of (Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride (CID 142245103) is (Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride.
What is the SMILES notation for (Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride?
The canonical SMILES for (Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride is C=C/N=C(Cl)/C(=C\C)CC.
What is the InChIKey of (Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride?
The InChIKey is YROPAVFPELIECD-NIQHGUSQSA-N. The full InChI is InChI=1S/C8H12ClN/c1-4-7(5-2)8(9)10-6-3/h4,6H,3,5H2,1-2H3/b7-4-,10-8-.
What are the key properties of (Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride?
(Z)-N-ethenyl-2-ethylbut-2-enimidoyl 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 (Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride is sourced from PubChem (CID 142245103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).