7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

C11H12FNO — CID 123421201

IUPAC7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCC1CCc2cc(F)ccc2NC1=O
InChIInChI=1S/C11H12FNO/c1-7-2-3-8-6-9(12)4-5-10(8)13-11(7)14/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyZVOMJZKUXGPTFD-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.35
Rot. Bonds

About 7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 123421201) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID123421201
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCC1CCc2cc(F)ccc2NC1=O
InChIInChI=1S/C11H12FNO/c1-7-2-3-8-6-9(12)4-5-10(8)13-11(7)14/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyZVOMJZKUXGPTFD-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 105357177
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(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one
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(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
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6-fluoro-3-methyl-4-oxo-1,3-dihydroquinoxalin-4-ium-2-one
CID 21366417
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1,6-dimethyl-4,6,7,8-tetrahydropyrrolo[3,2-b]azepin-5-one
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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 123421201) is 7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is CC1CCc2cc(F)ccc2NC1=O.
What is the InChIKey of 7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is ZVOMJZKUXGPTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7-2-3-8-6-9(12)4-5-10(8)13-11(7)14/h4-7H,2-3H2,1H3,(H,13,14).
What are the key properties of 7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 193.22 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 123421201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).