(Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride

C8H11ClN2 — CID 146400491

IUPAC(Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride
SMILESC=C/N=C(C)/C=C\C(Cl)=N\C
InChIInChI=1S/C8H11ClN2/c1-4-11-7(2)5-6-8(9)10-3/h4-6H,1H2,2-3H3/b6-5-,10-8-,11-7+
InChIKeyHPJZDYKPYQVVQY-IOSLKCIMSA-N
MW170.64 g/mol
LogP2.41
Rot. Bonds3

About (Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride

(Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride (PubChem CID 146400491) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is (Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride
PubChem CID146400491
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name(Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride
SMILESC=C/N=C(C)/C=C\C(Cl)=N\C
InChIInChI=1S/C8H11ClN2/c1-4-11-7(2)5-6-8(9)10-3/h4-6H,1H2,2-3H3/b6-5-,10-8-,11-7+
InChIKeyHPJZDYKPYQVVQY-IOSLKCIMSA-N
XLogP2.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride?
The IUPAC name of (Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride (CID 146400491) is (Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride.
What is the SMILES notation for (Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride?
The canonical SMILES for (Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride is C=C/N=C(C)/C=C\C(Cl)=N\C.
What is the InChIKey of (Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride?
The InChIKey is HPJZDYKPYQVVQY-IOSLKCIMSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-4-11-7(2)5-6-8(9)10-3/h4-6H,1H2,2-3H3/b6-5-,10-8-,11-7+.
What are the key properties of (Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride?
(Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride has a molecular weight of 170.64 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride is sourced from PubChem (CID 146400491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).