2-chloro-N-[(Z)-prop-1-enyl]ethanimine

C5H8ClN — CID 121258151

IUPAC2-chloro-N-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C\CCl
InChIInChI=1S/C5H8ClN/c1-2-4-7-5-3-6/h2,4-5H,3H2,1H3/b4-2-,7-5+
InChIKeyUEARDBXBHRIFII-USMLMTEFSA-N
MW117.58 g/mol
LogP1.83
Rot. Bonds2

About 2-chloro-N-[(Z)-prop-1-enyl]ethanimine

2-chloro-N-[(Z)-prop-1-enyl]ethanimine (PubChem CID 121258151) has the molecular formula C5H8ClN and a molecular weight of 117.58 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-prop-1-enyl]ethanimine.

Molecular Properties

Compound Name2-chloro-N-[(Z)-prop-1-enyl]ethanimine
PubChem CID121258151
Molecular FormulaC5H8ClN
Molecular Weight117.58 g/mol
Exact Mass117.03
IUPAC Name2-chloro-N-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C\CCl
InChIInChI=1S/C5H8ClN/c1-2-4-7-5-3-6/h2,4-5H,3H2,1H3/b4-2-,7-5+
InChIKeyUEARDBXBHRIFII-USMLMTEFSA-N
XLogP1.83
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 ≤ 51.83
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 2-chloro-N-[(Z)-prop-1-enyl]ethanimine?
The IUPAC name of 2-chloro-N-[(Z)-prop-1-enyl]ethanimine (CID 121258151) is 2-chloro-N-[(Z)-prop-1-enyl]ethanimine.
What is the SMILES notation for 2-chloro-N-[(Z)-prop-1-enyl]ethanimine?
The canonical SMILES for 2-chloro-N-[(Z)-prop-1-enyl]ethanimine is C/C=C\N=C\CCl.
What is the InChIKey of 2-chloro-N-[(Z)-prop-1-enyl]ethanimine?
The InChIKey is UEARDBXBHRIFII-USMLMTEFSA-N. The full InChI is InChI=1S/C5H8ClN/c1-2-4-7-5-3-6/h2,4-5H,3H2,1H3/b4-2-,7-5+.
What are the key properties of 2-chloro-N-[(Z)-prop-1-enyl]ethanimine?
2-chloro-N-[(Z)-prop-1-enyl]ethanimine has a molecular weight of 117.58 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-prop-1-enyl]ethanimine is sourced from PubChem (CID 121258151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).