2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide

C12H9BrN2O — CID 141026751

IUPAC2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide
SMILESBr.C1=CC2=Cc3ncccc3OC2=CC=N1
InChIInChI=1S/C12H8N2O.BrH/c1-2-12-10(14-5-1)8-9-3-6-13-7-4-11(9)15-12;/h1-8H;1H
InChIKeyCZEWGCVXEJWLLM-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.92
Rot. Bonds

About 2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide

2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide (PubChem CID 141026751) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide.

Molecular Properties

Compound Name2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide
PubChem CID141026751
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide
SMILESBr.C1=CC2=Cc3ncccc3OC2=CC=N1
InChIInChI=1S/C12H8N2O.BrH/c1-2-12-10(14-5-1)8-9-3-6-13-7-4-11(9)15-12;/h1-8H;1H
InChIKeyCZEWGCVXEJWLLM-UHFFFAOYSA-N
XLogP2.92
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide?
The IUPAC name of 2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide (CID 141026751) is 2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide.
What is the SMILES notation for 2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide?
The canonical SMILES for 2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide is Br.C1=CC2=Cc3ncccc3OC2=CC=N1.
What is the InChIKey of 2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide?
The InChIKey is CZEWGCVXEJWLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O.BrH/c1-2-12-10(14-5-1)8-9-3-6-13-7-4-11(9)15-12;/h1-8H;1H.
What are the key properties of 2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide?
2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide has a molecular weight of 277.12 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-7,13-diazatricyclo[8.5.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;hydrobromide is sourced from PubChem (CID 141026751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).