8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one

C11H10FNO — CID 22101951

IUPAC8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one
SMILESCc1cc2c(cc1F)=NC(=O)CCC=2
InChIInChI=1S/C11H10FNO/c1-7-5-8-3-2-4-11(14)13-10(8)6-9(7)12/h3,5-6H,2,4H2,1H3
InChIKeyYWJAMZCHGKPQNH-UHFFFAOYSA-N
MW191.20 g/mol
LogP0.85
Rot. Bonds

About 8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one

8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one (PubChem CID 22101951) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one.

Molecular Properties

Compound Name8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one
PubChem CID22101951
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one
SMILESCc1cc2c(cc1F)=NC(=O)CCC=2
InChIInChI=1S/C11H10FNO/c1-7-5-8-3-2-4-11(14)13-10(8)6-9(7)12/h3,5-6H,2,4H2,1H3
InChIKeyYWJAMZCHGKPQNH-UHFFFAOYSA-N
XLogP0.85
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one?
The IUPAC name of 8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one (CID 22101951) is 8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one.
What is the SMILES notation for 8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one?
The canonical SMILES for 8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one is Cc1cc2c(cc1F)=NC(=O)CCC=2.
What is the InChIKey of 8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one?
The InChIKey is YWJAMZCHGKPQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-7-5-8-3-2-4-11(14)13-10(8)6-9(7)12/h3,5-6H,2,4H2,1H3.
What are the key properties of 8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one?
8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one has a molecular weight of 191.20 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methyl-3,4-dihydro-1-benzazepin-2-one is sourced from PubChem (CID 22101951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).