(6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C8H13NO3 — CID 166137225

IUPAC(6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESO=C1CC[C@]2(CO)C[C@@H](O)CN12
InChIInChI=1S/C8H13NO3/c10-5-8-2-1-7(12)9(8)4-6(11)3-8/h6,10-11H,1-5H2/t6-,8-/m1/s1
InChIKeyHSBQAXKRRODFCD-HTRCEHHLSA-N
MW171.20 g/mol
LogP-0.90
Rot. Bonds1

About (6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

(6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 166137225) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID166137225
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESO=C1CC[C@]2(CO)C[C@@H](O)CN12
InChIInChI=1S/C8H13NO3/c10-5-8-2-1-7(12)9(8)4-6(11)3-8/h6,10-11H,1-5H2/t6-,8-/m1/s1
InChIKeyHSBQAXKRRODFCD-HTRCEHHLSA-N
XLogP-0.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
(2'R,6S,8S)-2'-fluoro-8-(hydroxymethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]-3-one
CID 176776357
(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
(8S)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134855970
(1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 135036655

Frequently Asked Questions

What is the IUPAC name of (6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 166137225) is (6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is O=C1CC[C@]2(CO)C[C@@H](O)CN12.
What is the InChIKey of (6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is HSBQAXKRRODFCD-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H13NO3/c10-5-8-2-1-7(12)9(8)4-6(11)3-8/h6,10-11H,1-5H2/t6-,8-/m1/s1.
What are the key properties of (6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 171.20 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 166137225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).