4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one

C12H15NO2 — CID 24973063

IUPAC4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCN1CCC(CO)C(=O)c2ccccc21
InChIInChI=1S/C12H15NO2/c1-13-7-6-9(8-14)12(15)10-4-2-3-5-11(10)13/h2-5,9,14H,6-8H2,1H3
InChIKeyZNKGSNODYULTMV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.32
Rot. Bonds1

About 4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one

4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 24973063) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID24973063
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCN1CCC(CO)C(=O)c2ccccc21
InChIInChI=1S/C12H15NO2/c1-13-7-6-9(8-14)12(15)10-4-2-3-5-11(10)13/h2-5,9,14H,6-8H2,1H3
InChIKeyZNKGSNODYULTMV-UHFFFAOYSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one (CID 24973063) is 4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one is CN1CCC(CO)C(=O)c2ccccc21.
What is the InChIKey of 4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is ZNKGSNODYULTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-7-6-9(8-14)12(15)10-4-2-3-5-11(10)13/h2-5,9,14H,6-8H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one?
4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 205.26 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 24973063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).