benzo[d][2,1]benzoxazepine

C13H9NO — CID 3080684

IUPACbenzo[d][2,1]benzoxazepine
SMILESC1=c2ccccc2=c2ccccc2=NO1
InChIInChI=1S/C13H9NO/c1-2-6-11-10(5-1)9-15-14-13-8-4-3-7-12(11)13/h1-9H
InChIKeyLPABESDNBMVEQA-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.28
Rot. Bonds

About benzo[d][2,1]benzoxazepine

benzo[d][2,1]benzoxazepine (PubChem CID 3080684) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is benzo[d][2,1]benzoxazepine.

Molecular Properties

Compound Namebenzo[d][2,1]benzoxazepine
PubChem CID3080684
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Namebenzo[d][2,1]benzoxazepine
SMILESC1=c2ccccc2=c2ccccc2=NO1
InChIInChI=1S/C13H9NO/c1-2-6-11-10(5-1)9-15-14-13-8-4-3-7-12(11)13/h1-9H
InChIKeyLPABESDNBMVEQA-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[d][2,1]benzoxazepine?
The IUPAC name of benzo[d][2,1]benzoxazepine (CID 3080684) is benzo[d][2,1]benzoxazepine.
What is the SMILES notation for benzo[d][2,1]benzoxazepine?
The canonical SMILES for benzo[d][2,1]benzoxazepine is C1=c2ccccc2=c2ccccc2=NO1.
What is the InChIKey of benzo[d][2,1]benzoxazepine?
The InChIKey is LPABESDNBMVEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c1-2-6-11-10(5-1)9-15-14-13-8-4-3-7-12(11)13/h1-9H.
What are the key properties of benzo[d][2,1]benzoxazepine?
benzo[d][2,1]benzoxazepine has a molecular weight of 195.22 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[d][2,1]benzoxazepine is sourced from PubChem (CID 3080684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).