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

C11H11NO2 — CID 57058415

IUPAC1-methoxy-5H-1-benzazepin-2-one
SMILESCON1C(=O)C=CCc2ccccc21
InChIInChI=1S/C11H11NO2/c1-14-12-10-7-3-2-5-9(10)6-4-8-11(12)13/h2-5,7-8H,6H2,1H3
InChIKeyUQEVYCPZGQNBDB-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.69
Rot. Bonds1

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

1-methoxy-5H-1-benzazepin-2-one (PubChem CID 57058415) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-methoxy-5H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-methoxy-5H-1-benzazepin-2-one
PubChem CID57058415
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-methoxy-5H-1-benzazepin-2-one
SMILESCON1C(=O)C=CCc2ccccc21
InChIInChI=1S/C11H11NO2/c1-14-12-10-7-3-2-5-9(10)6-4-8-11(12)13/h2-5,7-8H,6H2,1H3
InChIKeyUQEVYCPZGQNBDB-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5H-1-benzazepin-2-one?
The IUPAC name of 1-methoxy-5H-1-benzazepin-2-one (CID 57058415) is 1-methoxy-5H-1-benzazepin-2-one.
What is the SMILES notation for 1-methoxy-5H-1-benzazepin-2-one?
The canonical SMILES for 1-methoxy-5H-1-benzazepin-2-one is CON1C(=O)C=CCc2ccccc21.
What is the InChIKey of 1-methoxy-5H-1-benzazepin-2-one?
The InChIKey is UQEVYCPZGQNBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-12-10-7-3-2-5-9(10)6-4-8-11(12)13/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-methoxy-5H-1-benzazepin-2-one?
1-methoxy-5H-1-benzazepin-2-one has a molecular weight of 189.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5H-1-benzazepin-2-one is sourced from PubChem (CID 57058415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).