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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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).