8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one

C13H8ClNO2 — CID 13000266

IUPAC8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one
SMILESO=C1Nc2ccccc2Oc2ccc(Cl)cc21
InChIInChI=1S/C13H8ClNO2/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)
InChIKeyZAGINEPNYIZLLO-UHFFFAOYSA-N
MW245.67 g/mol
LogP3.70
Rot. Bonds

About 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one

8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one (PubChem CID 13000266) has the molecular formula C13H8ClNO2 and a molecular weight of 245.67 g/mol. Its IUPAC name is 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one.

Molecular Properties

Compound Name8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one
PubChem CID13000266
Molecular FormulaC13H8ClNO2
Molecular Weight245.67 g/mol
Exact Mass245.02
IUPAC Name8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one
SMILESO=C1Nc2ccccc2Oc2ccc(Cl)cc21
InChIInChI=1S/C13H8ClNO2/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)
InChIKeyZAGINEPNYIZLLO-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one?
The IUPAC name of 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one (CID 13000266) is 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one.
What is the SMILES notation for 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one?
The canonical SMILES for 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one is O=C1Nc2ccccc2Oc2ccc(Cl)cc21.
What is the InChIKey of 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one?
The InChIKey is ZAGINEPNYIZLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO2/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16).
What are the key properties of 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one?
8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one has a molecular weight of 245.67 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one is sourced from PubChem (CID 13000266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).