5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one

C7H10FNO — CID 84716269

IUPAC5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one
SMILESO=C1NCC2CC(F)CC12
InChIInChI=1S/C7H10FNO/c8-5-1-4-3-9-7(10)6(4)2-5/h4-6H,1-3H2,(H,9,10)
InChIKeyWNMHWEQVGFAMIX-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.48
Rot. Bonds

About 5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one

5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one (PubChem CID 84716269) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one.

Molecular Properties

Compound Name5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one
PubChem CID84716269
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one
SMILESO=C1NCC2CC(F)CC12
InChIInChI=1S/C7H10FNO/c8-5-1-4-3-9-7(10)6(4)2-5/h4-6H,1-3H2,(H,9,10)
InChIKeyWNMHWEQVGFAMIX-UHFFFAOYSA-N
XLogP0.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one?
The IUPAC name of 5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one (CID 84716269) is 5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one.
What is the SMILES notation for 5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one?
The canonical SMILES for 5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one is O=C1NCC2CC(F)CC12.
What is the InChIKey of 5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one?
The InChIKey is WNMHWEQVGFAMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c8-5-1-4-3-9-7(10)6(4)2-5/h4-6H,1-3H2,(H,9,10).
What are the key properties of 5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one?
5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one has a molecular weight of 143.16 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one is sourced from PubChem (CID 84716269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).