2-methoxy-5H-2-benzazepin-1-one

C11H11NO2 — CID 102443512

IUPAC2-methoxy-5H-2-benzazepin-1-one
SMILESCON1C=CCc2ccccc2C1=O
InChIInChI=1S/C11H11NO2/c1-14-12-8-4-6-9-5-2-3-7-10(9)11(12)13/h2-5,7-8H,6H2,1H3
InChIKeyMLGCEOLWRQKGLX-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.76
Rot. Bonds1

About 2-methoxy-5H-2-benzazepin-1-one

2-methoxy-5H-2-benzazepin-1-one (PubChem CID 102443512) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-methoxy-5H-2-benzazepin-1-one.

Molecular Properties

Compound Name2-methoxy-5H-2-benzazepin-1-one
PubChem CID102443512
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-methoxy-5H-2-benzazepin-1-one
SMILESCON1C=CCc2ccccc2C1=O
InChIInChI=1S/C11H11NO2/c1-14-12-8-4-6-9-5-2-3-7-10(9)11(12)13/h2-5,7-8H,6H2,1H3
InChIKeyMLGCEOLWRQKGLX-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5H-2-benzazepin-1-one?
The IUPAC name of 2-methoxy-5H-2-benzazepin-1-one (CID 102443512) is 2-methoxy-5H-2-benzazepin-1-one.
What is the SMILES notation for 2-methoxy-5H-2-benzazepin-1-one?
The canonical SMILES for 2-methoxy-5H-2-benzazepin-1-one is CON1C=CCc2ccccc2C1=O.
What is the InChIKey of 2-methoxy-5H-2-benzazepin-1-one?
The InChIKey is MLGCEOLWRQKGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-12-8-4-6-9-5-2-3-7-10(9)11(12)13/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-methoxy-5H-2-benzazepin-1-one?
2-methoxy-5H-2-benzazepin-1-one has a molecular weight of 189.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5H-2-benzazepin-1-one is sourced from PubChem (CID 102443512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).