(Z)-N-ethyl-2-methylbut-2-enimidoyl chloride

C7H12ClN — CID 138459578

IUPAC(Z)-N-ethyl-2-methylbut-2-enimidoyl chloride
SMILESC/C=C(C)\C(Cl)=N\CC
InChIInChI=1S/C7H12ClN/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4-,9-7-
InChIKeyYXRDUPMSRODYBU-PJPBHMPJSA-N
MW145.63 g/mol
LogP2.61
Rot. Bonds2

About (Z)-N-ethyl-2-methylbut-2-enimidoyl chloride

(Z)-N-ethyl-2-methylbut-2-enimidoyl chloride (PubChem CID 138459578) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (Z)-N-ethyl-2-methylbut-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-N-ethyl-2-methylbut-2-enimidoyl chloride
PubChem CID138459578
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(Z)-N-ethyl-2-methylbut-2-enimidoyl chloride
SMILESC/C=C(C)\C(Cl)=N\CC
InChIInChI=1S/C7H12ClN/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4-,9-7-
InChIKeyYXRDUPMSRODYBU-PJPBHMPJSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-ethyl-2-methylbut-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-ethyl-2-methylbut-2-enimidoyl chloride?
The IUPAC name of (Z)-N-ethyl-2-methylbut-2-enimidoyl chloride (CID 138459578) is (Z)-N-ethyl-2-methylbut-2-enimidoyl chloride.
What is the SMILES notation for (Z)-N-ethyl-2-methylbut-2-enimidoyl chloride?
The canonical SMILES for (Z)-N-ethyl-2-methylbut-2-enimidoyl chloride is C/C=C(C)\C(Cl)=N\CC.
What is the InChIKey of (Z)-N-ethyl-2-methylbut-2-enimidoyl chloride?
The InChIKey is YXRDUPMSRODYBU-PJPBHMPJSA-N. The full InChI is InChI=1S/C7H12ClN/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4-,9-7-.
What are the key properties of (Z)-N-ethyl-2-methylbut-2-enimidoyl chloride?
(Z)-N-ethyl-2-methylbut-2-enimidoyl chloride has a molecular weight of 145.63 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-methylbut-2-enimidoyl chloride is sourced from PubChem (CID 138459578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).