8-methoxy-3-benzazepin-2-one

C11H9NO2 — CID 86150474

IUPAC8-methoxy-3-benzazepin-2-one
SMILESCOc1ccc2ccnc(=O)cc2c1
InChIInChI=1S/C11H9NO2/c1-14-10-3-2-8-4-5-12-11(13)7-9(8)6-10/h2-7H,1H3
InChIKeyPITCXNMFUCMOFT-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.60
Rot. Bonds1

About 8-methoxy-3-benzazepin-2-one

8-methoxy-3-benzazepin-2-one (PubChem CID 86150474) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 8-methoxy-3-benzazepin-2-one.

Molecular Properties

Compound Name8-methoxy-3-benzazepin-2-one
PubChem CID86150474
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name8-methoxy-3-benzazepin-2-one
SMILESCOc1ccc2ccnc(=O)cc2c1
InChIInChI=1S/C11H9NO2/c1-14-10-3-2-8-4-5-12-11(13)7-9(8)6-10/h2-7H,1H3
InChIKeyPITCXNMFUCMOFT-UHFFFAOYSA-N
XLogP1.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-benzazepin-2-one?
The IUPAC name of 8-methoxy-3-benzazepin-2-one (CID 86150474) is 8-methoxy-3-benzazepin-2-one.
What is the SMILES notation for 8-methoxy-3-benzazepin-2-one?
The canonical SMILES for 8-methoxy-3-benzazepin-2-one is COc1ccc2ccnc(=O)cc2c1.
What is the InChIKey of 8-methoxy-3-benzazepin-2-one?
The InChIKey is PITCXNMFUCMOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-14-10-3-2-8-4-5-12-11(13)7-9(8)6-10/h2-7H,1H3.
What are the key properties of 8-methoxy-3-benzazepin-2-one?
8-methoxy-3-benzazepin-2-one has a molecular weight of 187.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-benzazepin-2-one is sourced from PubChem (CID 86150474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).