benzo[d][1,3]benzoxazepine

C13H9NO — CID 91433385

IUPACbenzo[d][1,3]benzoxazepine
SMILESC1=Nc2ccccc2-c2ccccc2O1
InChIInChI=1S/C13H9NO/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-9-14-12/h1-9H
InChIKeyQWBUARATUKXZSM-UHFFFAOYSA-N
MW195.22 g/mol
LogP3.41
Rot. Bonds

About benzo[d][1,3]benzoxazepine

benzo[d][1,3]benzoxazepine (PubChem CID 91433385) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is benzo[d][1,3]benzoxazepine.

Molecular Properties

Compound Namebenzo[d][1,3]benzoxazepine
PubChem CID91433385
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Namebenzo[d][1,3]benzoxazepine
SMILESC1=Nc2ccccc2-c2ccccc2O1
InChIInChI=1S/C13H9NO/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-9-14-12/h1-9H
InChIKeyQWBUARATUKXZSM-UHFFFAOYSA-N
XLogP3.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[d][1,3]benzoxazepine?
The IUPAC name of benzo[d][1,3]benzoxazepine (CID 91433385) is benzo[d][1,3]benzoxazepine.
What is the SMILES notation for benzo[d][1,3]benzoxazepine?
The canonical SMILES for benzo[d][1,3]benzoxazepine is C1=Nc2ccccc2-c2ccccc2O1.
What is the InChIKey of benzo[d][1,3]benzoxazepine?
The InChIKey is QWBUARATUKXZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-9-14-12/h1-9H.
What are the key properties of benzo[d][1,3]benzoxazepine?
benzo[d][1,3]benzoxazepine has a molecular weight of 195.22 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[d][1,3]benzoxazepine is sourced from PubChem (CID 91433385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).