(Z)-4-chloro-N-methylbut-2-en-1-imine

C5H8ClN — CID 123569694

IUPAC(Z)-4-chloro-N-methylbut-2-en-1-imine
SMILESC/N=C/C=C\CCl
InChIInChI=1S/C5H8ClN/c1-7-5-3-2-4-6/h2-3,5H,4H2,1H3/b3-2-,7-5+
InChIKeyFHYLJPQODSZXLN-JYUXVSJCSA-N
MW117.58 g/mol
LogP1.48
Rot. Bonds2

About (Z)-4-chloro-N-methylbut-2-en-1-imine

(Z)-4-chloro-N-methylbut-2-en-1-imine (PubChem CID 123569694) has the molecular formula C5H8ClN and a molecular weight of 117.58 g/mol. Its IUPAC name is (Z)-4-chloro-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-4-chloro-N-methylbut-2-en-1-imine
PubChem CID123569694
Molecular FormulaC5H8ClN
Molecular Weight117.58 g/mol
Exact Mass117.03
IUPAC Name(Z)-4-chloro-N-methylbut-2-en-1-imine
SMILESC/N=C/C=C\CCl
InChIInChI=1S/C5H8ClN/c1-7-5-3-2-4-6/h2-3,5H,4H2,1H3/b3-2-,7-5+
InChIKeyFHYLJPQODSZXLN-JYUXVSJCSA-N
XLogP1.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.58
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-chloro-N-methylbut-2-en-1-imine?
The IUPAC name of (Z)-4-chloro-N-methylbut-2-en-1-imine (CID 123569694) is (Z)-4-chloro-N-methylbut-2-en-1-imine.
What is the SMILES notation for (Z)-4-chloro-N-methylbut-2-en-1-imine?
The canonical SMILES for (Z)-4-chloro-N-methylbut-2-en-1-imine is C/N=C/C=C\CCl.
What is the InChIKey of (Z)-4-chloro-N-methylbut-2-en-1-imine?
The InChIKey is FHYLJPQODSZXLN-JYUXVSJCSA-N. The full InChI is InChI=1S/C5H8ClN/c1-7-5-3-2-4-6/h2-3,5H,4H2,1H3/b3-2-,7-5+.
What are the key properties of (Z)-4-chloro-N-methylbut-2-en-1-imine?
(Z)-4-chloro-N-methylbut-2-en-1-imine has a molecular weight of 117.58 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-chloro-N-methylbut-2-en-1-imine is sourced from PubChem (CID 123569694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).