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

C9H14FNO2 — CID 167294861

IUPAC(6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCOC[C@@]12CCC(=O)N1C[C@H](F)C2
InChIInChI=1S/C9H14FNO2/c1-13-6-9-3-2-8(12)11(9)5-7(10)4-9/h7H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyPMPDRIGEVWRLJM-APPZFPTMSA-N
MW187.21 g/mol
LogP0.74
Rot. Bonds2

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

(6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 167294861) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is (6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID167294861
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name(6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCOC[C@@]12CCC(=O)N1C[C@H](F)C2
InChIInChI=1S/C9H14FNO2/c1-13-6-9-3-2-8(12)11(9)5-7(10)4-9/h7H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyPMPDRIGEVWRLJM-APPZFPTMSA-N
XLogP0.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 167294861) is (6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is COC[C@@]12CCC(=O)N1C[C@H](F)C2.
What is the InChIKey of (6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is PMPDRIGEVWRLJM-APPZFPTMSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-13-6-9-3-2-8(12)11(9)5-7(10)4-9/h7H,2-6H2,1H3/t7-,9+/m1/s1.
What are the key properties of (6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 187.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-6-fluoro-8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 167294861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).