6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one

C8H10FNO — CID 175973502

IUPAC6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESO=C1CCC2CC(=CF)CN12
InChIInChI=1S/C8H10FNO/c9-4-6-3-7-1-2-8(11)10(7)5-6/h4,7H,1-3,5H2
InChIKeyCSSRWKHKKMZWCL-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.23
Rot. Bonds

About 6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one

6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 175973502) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID175973502
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESO=C1CCC2CC(=CF)CN12
InChIInChI=1S/C8H10FNO/c9-4-6-3-7-1-2-8(11)10(7)5-6/h4,7H,1-3,5H2
InChIKeyCSSRWKHKKMZWCL-UHFFFAOYSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (CID 175973502) is 6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is O=C1CCC2CC(=CF)CN12.
What is the InChIKey of 6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is CSSRWKHKKMZWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c9-4-6-3-7-1-2-8(11)10(7)5-6/h4,7H,1-3,5H2.
What are the key properties of 6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 155.17 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 175973502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).