4-fluoro-1-methyl-3H-azepin-2-one

C7H8FNO — CID 155260665

IUPAC4-fluoro-1-methyl-3H-azepin-2-one
SMILESCN1C=CC=C(F)CC1=O
InChIInChI=1S/C7H8FNO/c1-9-4-2-3-6(8)5-7(9)10/h2-4H,5H2,1H3
InChIKeyFFNKBDKVDQOCCE-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.22
Rot. Bonds

About 4-fluoro-1-methyl-3H-azepin-2-one

4-fluoro-1-methyl-3H-azepin-2-one (PubChem CID 155260665) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 4-fluoro-1-methyl-3H-azepin-2-one.

Molecular Properties

Compound Name4-fluoro-1-methyl-3H-azepin-2-one
PubChem CID155260665
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name4-fluoro-1-methyl-3H-azepin-2-one
SMILESCN1C=CC=C(F)CC1=O
InChIInChI=1S/C7H8FNO/c1-9-4-2-3-6(8)5-7(9)10/h2-4H,5H2,1H3
InChIKeyFFNKBDKVDQOCCE-UHFFFAOYSA-N
XLogP1.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-3H-azepin-2-one?
The IUPAC name of 4-fluoro-1-methyl-3H-azepin-2-one (CID 155260665) is 4-fluoro-1-methyl-3H-azepin-2-one.
What is the SMILES notation for 4-fluoro-1-methyl-3H-azepin-2-one?
The canonical SMILES for 4-fluoro-1-methyl-3H-azepin-2-one is CN1C=CC=C(F)CC1=O.
What is the InChIKey of 4-fluoro-1-methyl-3H-azepin-2-one?
The InChIKey is FFNKBDKVDQOCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-9-4-2-3-6(8)5-7(9)10/h2-4H,5H2,1H3.
What are the key properties of 4-fluoro-1-methyl-3H-azepin-2-one?
4-fluoro-1-methyl-3H-azepin-2-one has a molecular weight of 141.14 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-3H-azepin-2-one is sourced from PubChem (CID 155260665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).