7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one

C11H13NO2 — CID 83853018

IUPAC7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCN1C(=O)CCCc2cc(O)ccc21
InChIInChI=1S/C11H13NO2/c1-12-10-6-5-9(13)7-8(10)3-2-4-11(12)14/h5-7,13H,2-4H2,1H3
InChIKeyHNYJGJLOEZFHJD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.69
Rot. Bonds

About 7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one

7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 83853018) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID83853018
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCN1C(=O)CCCc2cc(O)ccc21
InChIInChI=1S/C11H13NO2/c1-12-10-6-5-9(13)7-8(10)3-2-4-11(12)14/h5-7,13H,2-4H2,1H3
InChIKeyHNYJGJLOEZFHJD-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312742
4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid
CID 19760245
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carbaldehyde
CID 84671403
6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116928650
7-(2,6-dichloro-4-nitrophenoxy)-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 156693228
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide
CID 156640194
8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
CID 46930002
N-cyclopentyl-2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
CID 110768543
1-methyl-7-(2-methylpiperidin-1-yl)sulfonyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 119055284
6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106324

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one (CID 83853018) is 7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one is CN1C(=O)CCCc2cc(O)ccc21.
What is the InChIKey of 7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is HNYJGJLOEZFHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-10-6-5-9(13)7-8(10)3-2-4-11(12)14/h5-7,13H,2-4H2,1H3.
What are the key properties of 7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one?
7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 83853018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).