2-chloro-N-methylprop-2-en-1-imine

C4H6ClN — CID 118479714

IUPAC2-chloro-N-methylprop-2-en-1-imine
SMILESC=C(Cl)/C=N/C
InChIInChI=1S/C4H6ClN/c1-4(5)3-6-2/h3H,1H2,2H3/b6-3+
InChIKeyCWDHHCLOXFDIGG-ZZXKWVIFSA-N
MW103.55 g/mol
LogP1.44
Rot. Bonds1

About 2-chloro-N-methylprop-2-en-1-imine

2-chloro-N-methylprop-2-en-1-imine (PubChem CID 118479714) has the molecular formula C4H6ClN and a molecular weight of 103.55 g/mol. Its IUPAC name is 2-chloro-N-methylprop-2-en-1-imine.

Molecular Properties

Compound Name2-chloro-N-methylprop-2-en-1-imine
PubChem CID118479714
Molecular FormulaC4H6ClN
Molecular Weight103.55 g/mol
Exact Mass103.02
IUPAC Name2-chloro-N-methylprop-2-en-1-imine
SMILESC=C(Cl)/C=N/C
InChIInChI=1S/C4H6ClN/c1-4(5)3-6-2/h3H,1H2,2H3/b6-3+
InChIKeyCWDHHCLOXFDIGG-ZZXKWVIFSA-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 2-chloro-N-methylprop-2-en-1-imine?
The IUPAC name of 2-chloro-N-methylprop-2-en-1-imine (CID 118479714) is 2-chloro-N-methylprop-2-en-1-imine.
What is the SMILES notation for 2-chloro-N-methylprop-2-en-1-imine?
The canonical SMILES for 2-chloro-N-methylprop-2-en-1-imine is C=C(Cl)/C=N/C.
What is the InChIKey of 2-chloro-N-methylprop-2-en-1-imine?
The InChIKey is CWDHHCLOXFDIGG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H6ClN/c1-4(5)3-6-2/h3H,1H2,2H3/b6-3+.
What are the key properties of 2-chloro-N-methylprop-2-en-1-imine?
2-chloro-N-methylprop-2-en-1-imine 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 2-chloro-N-methylprop-2-en-1-imine is sourced from PubChem (CID 118479714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).