9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one

C11H12FNO — CID 82402127

IUPAC9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCN1CCCC(=O)c2cccc(F)c21
InChIInChI=1S/C11H12FNO/c1-13-7-3-6-10(14)8-4-2-5-9(12)11(8)13/h2,4-5H,3,6-7H2,1H3
InChIKeyNPWLYFNXQMSEKD-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.24
Rot. Bonds

About 9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one

9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 82402127) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID82402127
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCN1CCCC(=O)c2cccc(F)c21
InChIInChI=1S/C11H12FNO/c1-13-7-3-6-10(14)8-4-2-5-9(12)11(8)13/h2,4-5H,3,6-7H2,1H3
InChIKeyNPWLYFNXQMSEKD-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114930258
2-methyl-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 131864653
1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one
CID 166609101
1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one
CID 107603133
2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 175736121
ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate
CID 134348471
4-fluoro-1-methyl-2,3-dihydroindole
CID 59466275
1-acetyl-8-methyl-2,3-dihydroquinolin-4-one
CID 110635435
4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 90169120
1-(2-amino-6-fluorophenyl)azepan-2-one
CID 81310287
1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110406834
1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 107014965

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one (CID 82402127) is 9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one is CN1CCCC(=O)c2cccc(F)c21.
What is the InChIKey of 9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is NPWLYFNXQMSEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-13-7-3-6-10(14)8-4-2-5-9(12)11(8)13/h2,4-5H,3,6-7H2,1H3.
What are the key properties of 9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one?
9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 193.22 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 82402127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).