N,2-dimethylprop-2-enimidoyl chloride

C5H8ClN — CID 144974240

IUPACN,2-dimethylprop-2-enimidoyl chloride
SMILESC=C(C)/C(Cl)=N/C
InChIInChI=1S/C5H8ClN/c1-4(2)5(6)7-3/h1H2,2-3H3/b7-5-
InChIKeyWMTMYCVJURHCQZ-ALCCZGGFSA-N
MW117.58 g/mol
LogP1.83
Rot. Bonds1

About N,2-dimethylprop-2-enimidoyl chloride

N,2-dimethylprop-2-enimidoyl chloride (PubChem CID 144974240) has the molecular formula C5H8ClN and a molecular weight of 117.58 g/mol. Its IUPAC name is N,2-dimethylprop-2-enimidoyl chloride.

Molecular Properties

Compound NameN,2-dimethylprop-2-enimidoyl chloride
PubChem CID144974240
Molecular FormulaC5H8ClN
Molecular Weight117.58 g/mol
Exact Mass117.03
IUPAC NameN,2-dimethylprop-2-enimidoyl chloride
SMILESC=C(C)/C(Cl)=N/C
InChIInChI=1S/C5H8ClN/c1-4(2)5(6)7-3/h1H2,2-3H3/b7-5-
InChIKeyWMTMYCVJURHCQZ-ALCCZGGFSA-N
XLogP1.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.58
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,2-dimethylprop-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,2-dimethylprop-2-enimidoyl chloride?
The IUPAC name of N,2-dimethylprop-2-enimidoyl chloride (CID 144974240) is N,2-dimethylprop-2-enimidoyl chloride.
What is the SMILES notation for N,2-dimethylprop-2-enimidoyl chloride?
The canonical SMILES for N,2-dimethylprop-2-enimidoyl chloride is C=C(C)/C(Cl)=N/C.
What is the InChIKey of N,2-dimethylprop-2-enimidoyl chloride?
The InChIKey is WMTMYCVJURHCQZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H8ClN/c1-4(2)5(6)7-3/h1H2,2-3H3/b7-5-.
What are the key properties of N,2-dimethylprop-2-enimidoyl chloride?
N,2-dimethylprop-2-enimidoyl chloride has a molecular weight of 117.58 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylprop-2-enimidoyl chloride is sourced from PubChem (CID 144974240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).