N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride

C6H6Cl2N2 — CID 123515717

IUPACN-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride
SMILESC=C/N=C(\Cl)N=C(Cl)C=C
InChIInChI=1S/C6H6Cl2N2/c1-3-5(7)10-6(8)9-4-2/h3-4H,1-2H2/b9-6+,10-5?
InChIKeyQZEHPMQIVNTGPF-YUSBAAHMSA-N
MW177.03 g/mol
LogP2.55
Rot. Bonds2

About N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride

N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride (PubChem CID 123515717) has the molecular formula C6H6Cl2N2 and a molecular weight of 177.03 g/mol. Its IUPAC name is N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride.

Molecular Properties

Compound NameN-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride
PubChem CID123515717
Molecular FormulaC6H6Cl2N2
Molecular Weight177.03 g/mol
Exact Mass175.99
IUPAC NameN-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride
SMILESC=C/N=C(\Cl)N=C(Cl)C=C
InChIInChI=1S/C6H6Cl2N2/c1-3-5(7)10-6(8)9-4-2/h3-4H,1-2H2/b9-6+,10-5?
InChIKeyQZEHPMQIVNTGPF-YUSBAAHMSA-N
XLogP2.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride?
The IUPAC name of N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride (CID 123515717) is N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride.
What is the SMILES notation for N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride?
The canonical SMILES for N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride is C=C/N=C(\Cl)N=C(Cl)C=C.
What is the InChIKey of N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride?
The InChIKey is QZEHPMQIVNTGPF-YUSBAAHMSA-N. The full InChI is InChI=1S/C6H6Cl2N2/c1-3-5(7)10-6(8)9-4-2/h3-4H,1-2H2/b9-6+,10-5?.
What are the key properties of N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride?
N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride has a molecular weight of 177.03 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C-chloro-N-ethenylcarbonimidoyl)prop-2-enimidoyl chloride is sourced from PubChem (CID 123515717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).