(8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one

C10H16FNO — CID 58473184

IUPAC(8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCC1C(=O)N2CC(C)(F)C[C@H]2C1C
InChIInChI=1S/C10H16FNO/c1-6-7(2)9(13)12-5-10(3,11)4-8(6)12/h6-8H,4-5H2,1-3H3/t6?,7?,8-,10?/m0/s1
InChIKeySHDYNKPVHVWIFC-ZYOAUOPZSA-N
MW185.24 g/mol
LogP1.60
Rot. Bonds

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

(8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 58473184) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is (8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID58473184
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name(8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCC1C(=O)N2CC(C)(F)C[C@H]2C1C
InChIInChI=1S/C10H16FNO/c1-6-7(2)9(13)12-5-10(3,11)4-8(6)12/h6-8H,4-5H2,1-3H3/t6?,7?,8-,10?/m0/s1
InChIKeySHDYNKPVHVWIFC-ZYOAUOPZSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (CID 58473184) is (8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is CC1C(=O)N2CC(C)(F)C[C@H]2C1C.
What is the InChIKey of (8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is SHDYNKPVHVWIFC-ZYOAUOPZSA-N. The full InChI is InChI=1S/C10H16FNO/c1-6-7(2)9(13)12-5-10(3,11)4-8(6)12/h6-8H,4-5H2,1-3H3/t6?,7?,8-,10?/m0/s1.
What are the key properties of (8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
(8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 185.24 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 58473184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).