5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one

C9H8FNO — CID 89364750

IUPAC5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one
SMILESO=C1CC2=CC(F)=CCC=C2N1
InChIInChI=1S/C9H8FNO/c10-7-2-1-3-8-6(4-7)5-9(12)11-8/h2-4H,1,5H2,(H,11,12)
InChIKeyMLWCLCPZJIHSHE-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.57
Rot. Bonds

About 5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one

5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one (PubChem CID 89364750) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one.

Molecular Properties

Compound Name5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one
PubChem CID89364750
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one
SMILESO=C1CC2=CC(F)=CCC=C2N1
InChIInChI=1S/C9H8FNO/c10-7-2-1-3-8-6(4-7)5-9(12)11-8/h2-4H,1,5H2,(H,11,12)
InChIKeyMLWCLCPZJIHSHE-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one?
The IUPAC name of 5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one (CID 89364750) is 5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one.
What is the SMILES notation for 5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one?
The canonical SMILES for 5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one is O=C1CC2=CC(F)=CCC=C2N1.
What is the InChIKey of 5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one?
The InChIKey is MLWCLCPZJIHSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-7-2-1-3-8-6(4-7)5-9(12)11-8/h2-4H,1,5H2,(H,11,12).
What are the key properties of 5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one?
5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one has a molecular weight of 165.17 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one is sourced from PubChem (CID 89364750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).