1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one

C15H21NO2 — CID 114337015

IUPAC1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCOCCC(C)N1CCCC(=O)c2ccccc21
InChIInChI=1S/C15H21NO2/c1-12(9-11-18-2)16-10-5-8-15(17)13-6-3-4-7-14(13)16/h3-4,6-7,12H,5,8-11H2,1-2H3
InChIKeyUJXVODOZLMONOG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.89
Rot. Bonds4

About 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one

1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 114337015) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID114337015
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCOCCC(C)N1CCCC(=O)c2ccccc21
InChIInChI=1S/C15H21NO2/c1-12(9-11-18-2)16-10-5-8-15(17)13-6-3-4-7-14(13)16/h3-4,6-7,12H,5,8-11H2,1-2H3
InChIKeyUJXVODOZLMONOG-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxybutan-2-yl)-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 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one (CID 114337015) is 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one is COCCC(C)N1CCCC(=O)c2ccccc21.
What is the InChIKey of 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is UJXVODOZLMONOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(9-11-18-2)16-10-5-8-15(17)13-6-3-4-7-14(13)16/h3-4,6-7,12H,5,8-11H2,1-2H3.
What are the key properties of 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one?
1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 247.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 114337015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).