11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one

C16H15NO2 — CID 14203513

IUPAC11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one
SMILESCN1C(=O)c2ccccc2C(C)(O)c2ccccc21
InChIInChI=1S/C16H15NO2/c1-16(19)12-8-4-3-7-11(12)15(18)17(2)14-10-6-5-9-13(14)16/h3-10,19H,1-2H3
InChIKeyFUHPWGWYCSWSIC-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.53
Rot. Bonds

About 11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one

11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one (PubChem CID 14203513) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one.

Molecular Properties

Compound Name11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one
PubChem CID14203513
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one
SMILESCN1C(=O)c2ccccc2C(C)(O)c2ccccc21
InChIInChI=1S/C16H15NO2/c1-16(19)12-8-4-3-7-11(12)15(18)17(2)14-10-6-5-9-13(14)16/h3-10,19H,1-2H3
InChIKeyFUHPWGWYCSWSIC-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one?
The IUPAC name of 11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one (CID 14203513) is 11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one.
What is the SMILES notation for 11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one?
The canonical SMILES for 11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one is CN1C(=O)c2ccccc2C(C)(O)c2ccccc21.
What is the InChIKey of 11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one?
The InChIKey is FUHPWGWYCSWSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-16(19)12-8-4-3-7-11(12)15(18)17(2)14-10-6-5-9-13(14)16/h3-10,19H,1-2H3.
What are the key properties of 11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one?
11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one has a molecular weight of 253.30 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one is sourced from PubChem (CID 14203513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).