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

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Related Compounds

methyl 3-(5-oxo-3,4-dihydro-2H-1-benzazepin-1-yl)butanoate
CID 114337369
3-(5-oxo-3,4-dihydro-2H-1-benzazepin-1-yl)butanoic acid
CID 114337393
1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65056934
1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 106990763
N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033947
1-(2-ethoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336708
1-(2-methylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336498
1-(4-methoxybutan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64973109
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336787
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
CID 9365050
1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336736
1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336995

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).