(1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine

C14H10Cl2N2 — CID 145382700

IUPAC(1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine
SMILESC=CC1=N/C(Cl)=c2/cccc/c2=N/C(Cl)=C\1C=C
InChIInChI=1S/C14H10Cl2N2/c1-3-9-11(4-2)17-14(16)10-7-5-6-8-12(10)18-13(9)15/h3-8H,1-2H2/b11-9-,13-9-,14-10-,17-11-,17-14+,18-12-,18-13+
InChIKeyKWBQWSHRGJGDFM-DUSQDDIISA-N
MW277.15 g/mol
LogP2.89
Rot. Bonds2

About (1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine

(1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine (PubChem CID 145382700) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is (1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine.

Molecular Properties

Compound Name(1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine
PubChem CID145382700
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name(1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine
SMILESC=CC1=N/C(Cl)=c2/cccc/c2=N/C(Cl)=C\1C=C
InChIInChI=1S/C14H10Cl2N2/c1-3-9-11(4-2)17-14(16)10-7-5-6-8-12(10)18-13(9)15/h3-8H,1-2H2/b11-9-,13-9-,14-10-,17-11-,17-14+,18-12-,18-13+
InChIKeyKWBQWSHRGJGDFM-DUSQDDIISA-N
XLogP2.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine 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 (1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine?
The IUPAC name of (1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine (CID 145382700) is (1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine.
What is the SMILES notation for (1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine?
The canonical SMILES for (1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine is C=CC1=N/C(Cl)=c2/cccc/c2=N/C(Cl)=C\1C=C.
What is the InChIKey of (1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine?
The InChIKey is KWBQWSHRGJGDFM-DUSQDDIISA-N. The full InChI is InChI=1S/C14H10Cl2N2/c1-3-9-11(4-2)17-14(16)10-7-5-6-8-12(10)18-13(9)15/h3-8H,1-2H2/b11-9-,13-9-,14-10-,17-11-,17-14+,18-12-,18-13+.
What are the key properties of (1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine?
(1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine has a molecular weight of 277.15 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2E,4Z,6E)-2,6-dichloro-3,4-bis(ethenyl)-1,5-benzodiazocine is sourced from PubChem (CID 145382700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).