(Z)-N,2-dimethylbut-2-enimidoyl chloride

C6H10ClN — CID 138525879

IUPAC(Z)-N,2-dimethylbut-2-enimidoyl chloride
SMILESC/C=C(C)\C(Cl)=N\C
InChIInChI=1S/C6H10ClN/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4-,8-6-
InChIKeyGPROUOCIRROBAZ-NADLECRISA-N
MW131.61 g/mol
LogP2.22
Rot. Bonds1

About (Z)-N,2-dimethylbut-2-enimidoyl chloride

(Z)-N,2-dimethylbut-2-enimidoyl chloride (PubChem CID 138525879) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is (Z)-N,2-dimethylbut-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-N,2-dimethylbut-2-enimidoyl chloride
PubChem CID138525879
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name(Z)-N,2-dimethylbut-2-enimidoyl chloride
SMILESC/C=C(C)\C(Cl)=N\C
InChIInChI=1S/C6H10ClN/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4-,8-6-
InChIKeyGPROUOCIRROBAZ-NADLECRISA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N,2-dimethylbut-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 (Z)-N,2-dimethylbut-2-enimidoyl chloride?
The IUPAC name of (Z)-N,2-dimethylbut-2-enimidoyl chloride (CID 138525879) is (Z)-N,2-dimethylbut-2-enimidoyl chloride.
What is the SMILES notation for (Z)-N,2-dimethylbut-2-enimidoyl chloride?
The canonical SMILES for (Z)-N,2-dimethylbut-2-enimidoyl chloride is C/C=C(C)\C(Cl)=N\C.
What is the InChIKey of (Z)-N,2-dimethylbut-2-enimidoyl chloride?
The InChIKey is GPROUOCIRROBAZ-NADLECRISA-N. The full InChI is InChI=1S/C6H10ClN/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4-,8-6-.
What are the key properties of (Z)-N,2-dimethylbut-2-enimidoyl chloride?
(Z)-N,2-dimethylbut-2-enimidoyl chloride has a molecular weight of 131.61 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-dimethylbut-2-enimidoyl chloride is sourced from PubChem (CID 138525879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).