N-methylprop-2-enimidoyl chloride

C4H6ClN — CID 118568163

IUPACN-methylprop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/C
InChIInChI=1S/C4H6ClN/c1-3-4(5)6-2/h3H,1H2,2H3/b6-4-
InChIKeyUFGZAWAFTVBNNE-XQRVVYSFSA-N
MW103.55 g/mol
LogP1.44
Rot. Bonds1

About N-methylprop-2-enimidoyl chloride

N-methylprop-2-enimidoyl chloride (PubChem CID 118568163) has the molecular formula C4H6ClN and a molecular weight of 103.55 g/mol. Its IUPAC name is N-methylprop-2-enimidoyl chloride.

Molecular Properties

Compound NameN-methylprop-2-enimidoyl chloride
PubChem CID118568163
Molecular FormulaC4H6ClN
Molecular Weight103.55 g/mol
Exact Mass103.02
IUPAC NameN-methylprop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/C
InChIInChI=1S/C4H6ClN/c1-3-4(5)6-2/h3H,1H2,2H3/b6-4-
InChIKeyUFGZAWAFTVBNNE-XQRVVYSFSA-N
XLogP1.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.55
LogP ≤ 51.44
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-methylprop-2-enimidoyl chloride?
The IUPAC name of N-methylprop-2-enimidoyl chloride (CID 118568163) is N-methylprop-2-enimidoyl chloride.
What is the SMILES notation for N-methylprop-2-enimidoyl chloride?
The canonical SMILES for N-methylprop-2-enimidoyl chloride is C=C/C(Cl)=N/C.
What is the InChIKey of N-methylprop-2-enimidoyl chloride?
The InChIKey is UFGZAWAFTVBNNE-XQRVVYSFSA-N. The full InChI is InChI=1S/C4H6ClN/c1-3-4(5)6-2/h3H,1H2,2H3/b6-4-.
What are the key properties of N-methylprop-2-enimidoyl chloride?
N-methylprop-2-enimidoyl chloride has a molecular weight of 103.55 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylprop-2-enimidoyl chloride is sourced from PubChem (CID 118568163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).