(6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one

C9H12FNO2 — CID 164943183

IUPAC(6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one
SMILESO=C1CC[C@@]2(CO)C/C(=C/F)CN12
InChIInChI=1S/C9H12FNO2/c10-4-7-3-9(6-12)2-1-8(13)11(9)5-7/h4,12H,1-3,5-6H2/b7-4-/t9-/m0/s1
InChIKeyALBKGSJDOLIKNL-WYDVEAGSSA-N
MW185.20 g/mol
LogP0.60
Rot. Bonds1

About (6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one

(6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one (PubChem CID 164943183) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is (6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name(6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one
PubChem CID164943183
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name(6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one
SMILESO=C1CC[C@@]2(CO)C/C(=C/F)CN12
InChIInChI=1S/C9H12FNO2/c10-4-7-3-9(6-12)2-1-8(13)11(9)5-7/h4,12H,1-3,5-6H2/b7-4-/t9-/m0/s1
InChIKeyALBKGSJDOLIKNL-WYDVEAGSSA-N
XLogP0.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one?
The IUPAC name of (6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one (CID 164943183) is (6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one.
What is the SMILES notation for (6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one?
The canonical SMILES for (6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one is O=C1CC[C@@]2(CO)C/C(=C/F)CN12.
What is the InChIKey of (6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one?
The InChIKey is ALBKGSJDOLIKNL-WYDVEAGSSA-N. The full InChI is InChI=1S/C9H12FNO2/c10-4-7-3-9(6-12)2-1-8(13)11(9)5-7/h4,12H,1-3,5-6H2/b7-4-/t9-/m0/s1.
What are the key properties of (6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one?
(6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one has a molecular weight of 185.20 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8S)-6-(fluoromethylidene)-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 164943183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).