5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one

C11H4Br2N2O — CID 12651902

IUPAC5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
SMILESO=C1c2cc(Br)cnc2-c2ncc(Br)cc21
InChIInChI=1S/C11H4Br2N2O/c12-5-1-7-9(14-3-5)10-8(11(7)16)2-6(13)4-15-10/h1-4H
InChIKeyVJJFFJKBCKNOLZ-UHFFFAOYSA-N
MW339.97 g/mol
LogP3.21
Rot. Bonds

About 5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one

5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one (PubChem CID 12651902) has the molecular formula C11H4Br2N2O and a molecular weight of 339.97 g/mol. Its IUPAC name is 5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one.

Molecular Properties

Compound Name5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
PubChem CID12651902
Molecular FormulaC11H4Br2N2O
Molecular Weight339.97 g/mol
Exact Mass337.87
IUPAC Name5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
SMILESO=C1c2cc(Br)cnc2-c2ncc(Br)cc21
InChIInChI=1S/C11H4Br2N2O/c12-5-1-7-9(14-3-5)10-8(11(7)16)2-6(13)4-15-10/h1-4H
InChIKeyVJJFFJKBCKNOLZ-UHFFFAOYSA-N
XLogP3.21
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.97
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one 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

CID 342157
CID 342157
CID 46864158
CID 46864158
CID 4243078
CID 4243078
CID 53244174
CID 53244174
CID 59748669
CID 59748669
CID 621237
CID 621237
CID 22338882
CID 22338882
CID 163672020
CID 163672020
CID 160037952
CID 160037952
CID 602751
CID 602751
CID 101526147
CID 101526147
CID 102155629
CID 102155629

Frequently Asked Questions

What is the IUPAC name of 5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one?
The IUPAC name of 5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one (CID 12651902) is 5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one.
What is the SMILES notation for 5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one?
The canonical SMILES for 5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one is O=C1c2cc(Br)cnc2-c2ncc(Br)cc21.
What is the InChIKey of 5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one?
The InChIKey is VJJFFJKBCKNOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2N2O/c12-5-1-7-9(14-3-5)10-8(11(7)16)2-6(13)4-15-10/h1-4H.
What are the key properties of 5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one?
5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one has a molecular weight of 339.97 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dibromo-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one is sourced from PubChem (CID 12651902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).