N-ethenylpropanimidoyl chloride

C5H8ClN — CID 88922327

IUPACN-ethenylpropanimidoyl chloride
SMILESC=C/N=C(\Cl)CC
InChIInChI=1S/C5H8ClN/c1-3-5(6)7-4-2/h4H,2-3H2,1H3/b7-5-
InChIKeyYCWYZKGZYNYRGS-ALCCZGGFSA-N
MW117.58 g/mol
LogP2.18
Rot. Bonds2

About N-ethenylpropanimidoyl chloride

N-ethenylpropanimidoyl chloride (PubChem CID 88922327) has the molecular formula C5H8ClN and a molecular weight of 117.58 g/mol. Its IUPAC name is N-ethenylpropanimidoyl chloride.

Molecular Properties

Compound NameN-ethenylpropanimidoyl chloride
PubChem CID88922327
Molecular FormulaC5H8ClN
Molecular Weight117.58 g/mol
Exact Mass117.03
IUPAC NameN-ethenylpropanimidoyl chloride
SMILESC=C/N=C(\Cl)CC
InChIInChI=1S/C5H8ClN/c1-3-5(6)7-4-2/h4H,2-3H2,1H3/b7-5-
InChIKeyYCWYZKGZYNYRGS-ALCCZGGFSA-N
XLogP2.18
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 ≤ 52.18
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 N-ethenylpropanimidoyl chloride?
The IUPAC name of N-ethenylpropanimidoyl chloride (CID 88922327) is N-ethenylpropanimidoyl chloride.
What is the SMILES notation for N-ethenylpropanimidoyl chloride?
The canonical SMILES for N-ethenylpropanimidoyl chloride is C=C/N=C(\Cl)CC.
What is the InChIKey of N-ethenylpropanimidoyl chloride?
The InChIKey is YCWYZKGZYNYRGS-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H8ClN/c1-3-5(6)7-4-2/h4H,2-3H2,1H3/b7-5-.
What are the key properties of N-ethenylpropanimidoyl chloride?
N-ethenylpropanimidoyl chloride has a molecular weight of 117.58 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylpropanimidoyl chloride is sourced from PubChem (CID 88922327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).