2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine

C5H5Cl2N — CID 91477351

IUPAC2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine
SMILESC=C(Cl)C=NC(=C)Cl
InChIInChI=1S/C5H5Cl2N/c1-4(6)3-8-5(2)7/h3H,1-2H2
InChIKeyOWBXYTUSPFISGM-UHFFFAOYSA-N
MW150.01 g/mol
LogP2.52
Rot. Bonds2

About 2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine

2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine (PubChem CID 91477351) has the molecular formula C5H5Cl2N and a molecular weight of 150.01 g/mol. Its IUPAC name is 2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine
PubChem CID91477351
Molecular FormulaC5H5Cl2N
Molecular Weight150.01 g/mol
Exact Mass148.98
IUPAC Name2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine
SMILESC=C(Cl)C=NC(=C)Cl
InChIInChI=1S/C5H5Cl2N/c1-4(6)3-8-5(2)7/h3H,1-2H2
InChIKeyOWBXYTUSPFISGM-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.01
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine
CID 123995680
(Z)-N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine
CID 145189680
2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine
CID 88953125
2-chloro-N-ethenylprop-2-en-1-imine
CID 90066641
2-chloro-N-methylprop-2-en-1-imine
CID 118479714
N-(1-chloroethenyl)prop-2-en-1-imine
CID 123197814
(Z)-N-(1-chloroethenyl)prop-2-en-1-imine
CID 134289449
(E)-1-chloro-2-(2-chloroprop-2-enylideneamino)ethenamine
CID 137534700
(Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine
CID 153356245
2-chloro-N-[(E)-1-chloroprop-1-enyl]prop-2-en-1-imine
CID 173671950

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine?
The IUPAC name of 2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine (CID 91477351) is 2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine.
What is the SMILES notation for 2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine?
The canonical SMILES for 2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine is C=C(Cl)C=NC(=C)Cl.
What is the InChIKey of 2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine?
The InChIKey is OWBXYTUSPFISGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N/c1-4(6)3-8-5(2)7/h3H,1-2H2.
What are the key properties of 2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine?
2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine has a molecular weight of 150.01 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine is sourced from PubChem (CID 91477351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).