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

C7H10ClN — CID 129215809

IUPAC(Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride
SMILESC=C/N=C(Cl)/C(C)=C\C
InChIInChI=1S/C7H10ClN/c1-4-6(3)7(8)9-5-2/h4-5H,2H2,1,3H3/b6-4-,9-7-
InChIKeyBXWMURPWFRIHKZ-PJPBHMPJSA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds2

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

(Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride (PubChem CID 129215809) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride
PubChem CID129215809
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride
SMILESC=C/N=C(Cl)/C(C)=C\C
InChIInChI=1S/C7H10ClN/c1-4-6(3)7(8)9-5-2/h4-5H,2H2,1,3H3/b6-4-,9-7-
InChIKeyBXWMURPWFRIHKZ-PJPBHMPJSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-N-ethenyl-2-methylbut-2-enimidoyl chloride?
The IUPAC name of (Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride (CID 129215809) is (Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride.
What is the SMILES notation for (Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride?
The canonical SMILES for (Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride is C=C/N=C(Cl)/C(C)=C\C.
What is the InChIKey of (Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride?
The InChIKey is BXWMURPWFRIHKZ-PJPBHMPJSA-N. The full InChI is InChI=1S/C7H10ClN/c1-4-6(3)7(8)9-5-2/h4-5H,2H2,1,3H3/b6-4-,9-7-.
What are the key properties of (Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride?
(Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride has a molecular weight of 143.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride is sourced from PubChem (CID 129215809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).