7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene

C14H16Cl2N2 — CID 69233405

IUPAC7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene
SMILESClc1ccc(N2CC3CC=CCC2CN3)cc1Cl
InChIInChI=1S/C14H16Cl2N2/c15-13-6-5-11(7-14(13)16)18-9-10-3-1-2-4-12(18)8-17-10/h1-2,5-7,10,12,17H,3-4,8-9H2
InChIKeyOEJDTRLOYBUVBD-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.49
Rot. Bonds1

About 7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene

7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene (PubChem CID 69233405) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene
PubChem CID69233405
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene
SMILESClc1ccc(N2CC3CC=CCC2CN3)cc1Cl
InChIInChI=1S/C14H16Cl2N2/c15-13-6-5-11(7-14(13)16)18-9-10-3-1-2-4-12(18)8-17-10/h1-2,5-7,10,12,17H,3-4,8-9H2
InChIKeyOEJDTRLOYBUVBD-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene 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 7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene?
The IUPAC name of 7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene (CID 69233405) is 7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene?
The canonical SMILES for 7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene is Clc1ccc(N2CC3CC=CCC2CN3)cc1Cl.
What is the InChIKey of 7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene?
The InChIKey is OEJDTRLOYBUVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c15-13-6-5-11(7-14(13)16)18-9-10-3-1-2-4-12(18)8-17-10/h1-2,5-7,10,12,17H,3-4,8-9H2.
What are the key properties of 7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene?
7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene has a molecular weight of 283.20 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene is sourced from PubChem (CID 69233405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).