N-ethenyl-2-methylprop-2-enimidoyl chloride

C6H8ClN — CID 122468635

IUPACN-ethenyl-2-methylprop-2-enimidoyl chloride
SMILESC=C/N=C(\Cl)C(=C)C
InChIInChI=1S/C6H8ClN/c1-4-8-6(7)5(2)3/h4H,1-2H2,3H3/b8-6-
InChIKeyPQYRESONLSAXFF-VURMDHGXSA-N
MW129.59 g/mol
LogP2.34
Rot. Bonds2

About N-ethenyl-2-methylprop-2-enimidoyl chloride

N-ethenyl-2-methylprop-2-enimidoyl chloride (PubChem CID 122468635) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is N-ethenyl-2-methylprop-2-enimidoyl chloride.

Molecular Properties

Compound NameN-ethenyl-2-methylprop-2-enimidoyl chloride
PubChem CID122468635
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC NameN-ethenyl-2-methylprop-2-enimidoyl chloride
SMILESC=C/N=C(\Cl)C(=C)C
InChIInChI=1S/C6H8ClN/c1-4-8-6(7)5(2)3/h4H,1-2H2,3H3/b8-6-
InChIKeyPQYRESONLSAXFF-VURMDHGXSA-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'}

Analyze N-ethenyl-2-methylprop-2-enimidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methylprop-2-enimidoyl chloride?
The IUPAC name of N-ethenyl-2-methylprop-2-enimidoyl chloride (CID 122468635) is N-ethenyl-2-methylprop-2-enimidoyl chloride.
What is the SMILES notation for N-ethenyl-2-methylprop-2-enimidoyl chloride?
The canonical SMILES for N-ethenyl-2-methylprop-2-enimidoyl chloride is C=C/N=C(\Cl)C(=C)C.
What is the InChIKey of N-ethenyl-2-methylprop-2-enimidoyl chloride?
The InChIKey is PQYRESONLSAXFF-VURMDHGXSA-N. The full InChI is InChI=1S/C6H8ClN/c1-4-8-6(7)5(2)3/h4H,1-2H2,3H3/b8-6-.
What are the key properties of N-ethenyl-2-methylprop-2-enimidoyl chloride?
N-ethenyl-2-methylprop-2-enimidoyl chloride 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-ethenyl-2-methylprop-2-enimidoyl chloride is sourced from PubChem (CID 122468635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).