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

C9H14FNO — CID 58473087

IUPAC(8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC1C(=O)N2CC(F)C[C@H]2C1C
InChIInChI=1S/C9H14FNO/c1-5-6(2)9(12)11-4-7(10)3-8(5)11/h5-8H,3-4H2,1-2H3/t5?,6?,7?,8-/m0/s1
InChIKeyWFNLCFLBPNVDAO-AWEWAEBESA-N
MW171.22 g/mol
LogP1.21
Rot. Bonds

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

(8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 58473087) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is (8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID58473087
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name(8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC1C(=O)N2CC(F)C[C@H]2C1C
InChIInChI=1S/C9H14FNO/c1-5-6(2)9(12)11-4-7(10)3-8(5)11/h5-8H,3-4H2,1-2H3/t5?,6?,7?,8-/m0/s1
InChIKeyWFNLCFLBPNVDAO-AWEWAEBESA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 58473087) is (8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC1C(=O)N2CC(F)C[C@H]2C1C.
What is the InChIKey of (8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is WFNLCFLBPNVDAO-AWEWAEBESA-N. The full InChI is InChI=1S/C9H14FNO/c1-5-6(2)9(12)11-4-7(10)3-8(5)11/h5-8H,3-4H2,1-2H3/t5?,6?,7?,8-/m0/s1.
What are the key properties of (8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 171.22 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 58473087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).