N-(1-chloroethenyl)-2-methylprop-2-en-1-imine

C6H8ClN — CID 90688003

IUPACN-(1-chloroethenyl)-2-methylprop-2-en-1-imine
SMILESC=C(C)C=NC(=C)Cl
InChIInChI=1S/C6H8ClN/c1-5(2)4-8-6(3)7/h4H,1,3H2,2H3
InChIKeyIMLSYFPONBVGPG-UHFFFAOYSA-N
MW129.59 g/mol
LogP2.34
Rot. Bonds2

About N-(1-chloroethenyl)-2-methylprop-2-en-1-imine

N-(1-chloroethenyl)-2-methylprop-2-en-1-imine (PubChem CID 90688003) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is N-(1-chloroethenyl)-2-methylprop-2-en-1-imine.

Molecular Properties

Compound NameN-(1-chloroethenyl)-2-methylprop-2-en-1-imine
PubChem CID90688003
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC NameN-(1-chloroethenyl)-2-methylprop-2-en-1-imine
SMILESC=C(C)C=NC(=C)Cl
InChIInChI=1S/C6H8ClN/c1-5(2)4-8-6(3)7/h4H,1,3H2,2H3
InChIKeyIMLSYFPONBVGPG-UHFFFAOYSA-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': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine
CID 143567891
(Z)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 89035223
2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89277714
2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000
(Z)-N,2-dimethyl-3-(methylideneamino)prop-2-enimidoyl chloride
CID 89965327
N-ethenyl-2-methylprop-2-en-1-imine
CID 91549120
N-ethenyl-2-methylprop-2-enimidoyl chloride
CID 122468635
3-chloro-N,2-dimethylbut-2-en-1-imine
CID 123264521
N-(2-chloroprop-1-enyl)-2-methylprop-2-en-1-imine
CID 123516827
N-(1-chloroethenyl)-2,3-dimethylbut-2-en-1-imine
CID 123612629
N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine
CID 123623345
N-(1-chloroethenyl)-2-methylidenebutan-1-imine
CID 123676217

Frequently Asked Questions

What is the IUPAC name of N-(1-chloroethenyl)-2-methylprop-2-en-1-imine?
The IUPAC name of N-(1-chloroethenyl)-2-methylprop-2-en-1-imine (CID 90688003) is N-(1-chloroethenyl)-2-methylprop-2-en-1-imine.
What is the SMILES notation for N-(1-chloroethenyl)-2-methylprop-2-en-1-imine?
The canonical SMILES for N-(1-chloroethenyl)-2-methylprop-2-en-1-imine is C=C(C)C=NC(=C)Cl.
What is the InChIKey of N-(1-chloroethenyl)-2-methylprop-2-en-1-imine?
The InChIKey is IMLSYFPONBVGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN/c1-5(2)4-8-6(3)7/h4H,1,3H2,2H3.
What are the key properties of N-(1-chloroethenyl)-2-methylprop-2-en-1-imine?
N-(1-chloroethenyl)-2-methylprop-2-en-1-imine 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-(1-chloroethenyl)-2-methylprop-2-en-1-imine is sourced from PubChem (CID 90688003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).