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

C10H18ClN — CID 142245102

IUPACethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
SMILESC=C/N=C(Cl)/C(=C\C)CC.CC
InChIInChI=1S/C8H12ClN.C2H6/c1-4-7(5-2)8(9)10-6-3;1-2/h4,6H,3,5H2,1-2H3;1-2H3/b7-4-,10-8-;
InChIKeyDVPIDTRGLHZRER-YGJMQSFHSA-N
MW187.71 g/mol
LogP4.15
Rot. Bonds3

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

ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride (PubChem CID 142245102) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride.

Molecular Properties

Compound Nameethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
PubChem CID142245102
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Nameethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
SMILESC=C/N=C(Cl)/C(=C\C)CC.CC
InChIInChI=1S/C8H12ClN.C2H6/c1-4-7(5-2)8(9)10-6-3;1-2/h4,6H,3,5H2,1-2H3;1-2H3/b7-4-,10-8-;
InChIKeyDVPIDTRGLHZRER-YGJMQSFHSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 54.15
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

(E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride
CID 145143816
2-methyl-N-pent-3-enylprop-2-enimidoyl chloride
CID 123530294
N,2-dimethylhexa-2,5-dienimidoyl chloride
CID 123718919
(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
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
(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane
CID 144503750
(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane
CID 145048942
(2E,4E)-4-chloro-2,3-dimethyl-N-[(E)-prop-1-enyl]hexa-2,4-dien-1-imine;ethane
CID 154644137

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride?
The IUPAC name of ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride (CID 142245102) is ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride.
What is the SMILES notation for ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride?
The canonical SMILES for ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride is C=C/N=C(Cl)/C(=C\C)CC.CC.
What is the InChIKey of ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride?
The InChIKey is DVPIDTRGLHZRER-YGJMQSFHSA-N. The full InChI is InChI=1S/C8H12ClN.C2H6/c1-4-7(5-2)8(9)10-6-3;1-2/h4,6H,3,5H2,1-2H3;1-2H3/b7-4-,10-8-;.
What are the key properties of ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride?
ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride has a molecular weight of 187.71 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride is sourced from PubChem (CID 142245102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).