(2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one

C10H14FNO2 — CID 176776357

IUPAC(2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one
SMILESO=C1CC[C@@]2(CO)C[C@]3(C[C@H]3F)CN12
InChIInChI=1S/C10H14FNO2/c11-7-3-9(7)4-10(6-13)2-1-8(14)12(10)5-9/h7,13H,1-6H2/t7-,9-,10+/m1/s1
InChIKeyOTTJZMXAOHCEED-QNSHHTMESA-N
MW199.22 g/mol
LogP0.47
Rot. Bonds1

About (2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one

(2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one (PubChem CID 176776357) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is (2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name(2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one
PubChem CID176776357
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name(2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one
SMILESO=C1CC[C@@]2(CO)C[C@]3(C[C@H]3F)CN12
InChIInChI=1S/C10H14FNO2/c11-7-3-9(7)4-10(6-13)2-1-8(14)12(10)5-9/h7,13H,1-6H2/t7-,9-,10+/m1/s1
InChIKeyOTTJZMXAOHCEED-QNSHHTMESA-N
XLogP0.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one with MolForge

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Related Compounds

6-Fluoro-7a-(hydroxymethyl)hexahydro-3H-pyrrolizin-3-one
CID 156117399
(8S)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one
CID 164943269
Rel-(2R,6R,7aS)-2-fluoro-6-hydroxy-7a-(hydroxymethyl)hexahydro-3H-pyrrolizin-3-one
CID 166137199
(6R,7aS)-6-Fluoro-7a-(hydroxymethyl)hexahydro-3H-pyrrolizin-3-one
CID 166139975
rel-(6S,8R)-6-fluoro-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 166638443
(2R,8S)-2-fluoro-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 172288125
(8S)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid
CID 174157750
(6R,8S)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid
CID 174189643
(2'R,6R,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one
CID 176776404
(2'S,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one
CID 176776725
(2'S,6R,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one
CID 176776750
(6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid
CID 177312857

Frequently Asked Questions

What is the IUPAC name of (2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one?
The IUPAC name of (2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one (CID 176776357) is (2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one.
What is the SMILES notation for (2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one?
The canonical SMILES for (2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one is O=C1CC[C@@]2(CO)C[C@]3(C[C@H]3F)CN12.
What is the InChIKey of (2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one?
The InChIKey is OTTJZMXAOHCEED-QNSHHTMESA-N. The full InChI is InChI=1S/C10H14FNO2/c11-7-3-9(7)4-10(6-13)2-1-8(14)12(10)5-9/h7,13H,1-6H2/t7-,9-,10+/m1/s1.
What are the key properties of (2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one?
(2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one has a molecular weight of 199.22 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one is sourced from PubChem (CID 176776357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).