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

C4H6ClN — CID 123345838

IUPAC3-chloro-N-methylprop-2-en-1-imine
SMILESC/N=C/C=CCl
InChIInChI=1S/C4H6ClN/c1-6-4-2-3-5/h2-4H,1H3/b3-2?,6-4+
InChIKeyMBILTMKWQIKOMP-KMSZJSRBSA-N
MW103.55 g/mol
LogP1.44
Rot. Bonds1

About 3-chloro-N-methylprop-2-en-1-imine

3-chloro-N-methylprop-2-en-1-imine (PubChem CID 123345838) has the molecular formula C4H6ClN and a molecular weight of 103.55 g/mol. Its IUPAC name is 3-chloro-N-methylprop-2-en-1-imine.

Molecular Properties

Compound Name3-chloro-N-methylprop-2-en-1-imine
PubChem CID123345838
Molecular FormulaC4H6ClN
Molecular Weight103.55 g/mol
Exact Mass103.02
IUPAC Name3-chloro-N-methylprop-2-en-1-imine
SMILESC/N=C/C=CCl
InChIInChI=1S/C4H6ClN/c1-6-4-2-3-5/h2-4H,1H3/b3-2?,6-4+
InChIKeyMBILTMKWQIKOMP-KMSZJSRBSA-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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Related Compounds

N-(1-chloroethyl)-2-fluoroprop-2-en-1-imine
CID 173786331
[(E)-3-chloroprop-2-enylidene]-dimethylazanium
CID 12484951
3-Chloroprop-2-enylidene(dimethyl)azanium
CID 86003278
6-Chloro-2,3-diazahexa-1,3,5-triene
CID 129781128
[(Z)-3-chloroprop-2-enylidene]-dimethylazanium
CID 134924545
[(E)-3-chloroprop-2-enylidene]-dimethylazanium chloride
CID 12484950
[(E)-4-chlorobut-2-enylidene]-ethyl-methylazanium
CID 89321708
2-chloro-N-[(Z)-prop-1-enyl]ethanimine
CID 121258151
N-[(1E,3E)-2,4-dichlorobuta-1,3-dienyl]ethanimine
CID 122647090
N-(1-chloroethenyl)prop-2-en-1-imine
CID 123197814
3-chloro-N-methylbut-2-en-1-imine
CID 123199705
N-(1-chloroprop-1-enyl)prop-2-en-1-imine
CID 123266589

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methylprop-2-en-1-imine?
The IUPAC name of 3-chloro-N-methylprop-2-en-1-imine (CID 123345838) is 3-chloro-N-methylprop-2-en-1-imine.
What is the SMILES notation for 3-chloro-N-methylprop-2-en-1-imine?
The canonical SMILES for 3-chloro-N-methylprop-2-en-1-imine is C/N=C/C=CCl.
What is the InChIKey of 3-chloro-N-methylprop-2-en-1-imine?
The InChIKey is MBILTMKWQIKOMP-KMSZJSRBSA-N. The full InChI is InChI=1S/C4H6ClN/c1-6-4-2-3-5/h2-4H,1H3/b3-2?,6-4+.
What are the key properties of 3-chloro-N-methylprop-2-en-1-imine?
3-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 3-chloro-N-methylprop-2-en-1-imine is sourced from PubChem (CID 123345838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).