5,6-dihydrobenzo[b][1,4]benzoxazepine

C13H11NO — CID 648933

IUPAC5,6-dihydrobenzo[b][1,4]benzoxazepine
SMILESc1ccc2c(c1)CNc1ccccc1O2
InChIInChI=1S/C13H11NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-8,14H,9H2
InChIKeyYUFONPPSLOZSAT-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.40
Rot. Bonds

About 5,6-dihydrobenzo[b][1,4]benzoxazepine

5,6-dihydrobenzo[b][1,4]benzoxazepine (PubChem CID 648933) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 5,6-dihydrobenzo[b][1,4]benzoxazepine.

Molecular Properties

Compound Name5,6-dihydrobenzo[b][1,4]benzoxazepine
PubChem CID648933
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name5,6-dihydrobenzo[b][1,4]benzoxazepine
SMILESc1ccc2c(c1)CNc1ccccc1O2
InChIInChI=1S/C13H11NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-8,14H,9H2
InChIKeyYUFONPPSLOZSAT-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydrobenzo[b][1,4]benzoxazepine?
The IUPAC name of 5,6-dihydrobenzo[b][1,4]benzoxazepine (CID 648933) is 5,6-dihydrobenzo[b][1,4]benzoxazepine.
What is the SMILES notation for 5,6-dihydrobenzo[b][1,4]benzoxazepine?
The canonical SMILES for 5,6-dihydrobenzo[b][1,4]benzoxazepine is c1ccc2c(c1)CNc1ccccc1O2.
What is the InChIKey of 5,6-dihydrobenzo[b][1,4]benzoxazepine?
The InChIKey is YUFONPPSLOZSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-8,14H,9H2.
What are the key properties of 5,6-dihydrobenzo[b][1,4]benzoxazepine?
5,6-dihydrobenzo[b][1,4]benzoxazepine has a molecular weight of 197.24 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydrobenzo[b][1,4]benzoxazepine is sourced from PubChem (CID 648933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).