6-hydroxy-1-benzazepin-2-one

C10H7NO2 — CID 135583122

IUPAC6-hydroxy-1-benzazepin-2-one
SMILESO=c1cccc2c(O)cccc2n1
InChIInChI=1S/C10H7NO2/c12-9-5-2-4-8-7(9)3-1-6-10(13)11-8/h1-6,12H
InChIKeyTURIBBCTTFWIEN-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.30
Rot. Bonds

About 6-hydroxy-1-benzazepin-2-one

6-hydroxy-1-benzazepin-2-one (PubChem CID 135583122) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 6-hydroxy-1-benzazepin-2-one.

Molecular Properties

Compound Name6-hydroxy-1-benzazepin-2-one
PubChem CID135583122
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name6-hydroxy-1-benzazepin-2-one
SMILESO=c1cccc2c(O)cccc2n1
InChIInChI=1S/C10H7NO2/c12-9-5-2-4-8-7(9)3-1-6-10(13)11-8/h1-6,12H
InChIKeyTURIBBCTTFWIEN-UHFFFAOYSA-N
XLogP1.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-benzazepin-2-one?
The IUPAC name of 6-hydroxy-1-benzazepin-2-one (CID 135583122) is 6-hydroxy-1-benzazepin-2-one.
What is the SMILES notation for 6-hydroxy-1-benzazepin-2-one?
The canonical SMILES for 6-hydroxy-1-benzazepin-2-one is O=c1cccc2c(O)cccc2n1.
What is the InChIKey of 6-hydroxy-1-benzazepin-2-one?
The InChIKey is TURIBBCTTFWIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-9-5-2-4-8-7(9)3-1-6-10(13)11-8/h1-6,12H.
What are the key properties of 6-hydroxy-1-benzazepin-2-one?
6-hydroxy-1-benzazepin-2-one has a molecular weight of 173.17 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-benzazepin-2-one is sourced from PubChem (CID 135583122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).