(6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C7H10FNO — CID 167250307

IUPAC(6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CCC2C[C@H](F)CN12
InChIInChI=1S/C7H10FNO/c8-5-3-6-1-2-7(10)9(6)4-5/h5-6H,1-4H2/t5-,6?/m0/s1
InChIKeyUDQLKFARJFMGMO-ZBHICJROSA-N
MW143.16 g/mol
LogP0.72
Rot. Bonds

About (6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 167250307) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is (6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID167250307
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name(6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CCC2C[C@H](F)CN12
InChIInChI=1S/C7H10FNO/c8-5-3-6-1-2-7(10)9(6)4-5/h5-6H,1-4H2/t5-,6?/m0/s1
InChIKeyUDQLKFARJFMGMO-ZBHICJROSA-N
XLogP0.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 45090648
6-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131876212
(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 86727694
(6S,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 86727879
(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 129388955
2-(2-bromo-4-fluorophenyl)sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855696
2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione
CID 142701312
8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 118636069
6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 71370104
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
(8aS)-2-[(1R,3R)-3-aminocyclopentyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 99962875
5-methyl-1-[(3R)-piperidin-3-yl]piperidin-2-one
CID 166162657

Frequently Asked Questions

What is the IUPAC name of (6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 167250307) is (6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1CCC2C[C@H](F)CN12.
What is the InChIKey of (6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is UDQLKFARJFMGMO-ZBHICJROSA-N. The full InChI is InChI=1S/C7H10FNO/c8-5-3-6-1-2-7(10)9(6)4-5/h5-6H,1-4H2/t5-,6?/m0/s1.
What are the key properties of (6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 143.16 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 167250307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).