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

C8H13NO3 — CID 101002231

IUPAC(7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESO=C1CC[C@@]2(O)[C@@H](CO)CCN12
InChIInChI=1S/C8H13NO3/c10-5-6-2-4-9-7(11)1-3-8(6,9)12/h6,10,12H,1-5H2/t6-,8-/m1/s1
InChIKeyGGJZFFVIARIPEX-HTRCEHHLSA-N
MW171.20 g/mol
LogP-0.69
Rot. Bonds1

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

(7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 101002231) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID101002231
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESO=C1CC[C@@]2(O)[C@@H](CO)CCN12
InChIInChI=1S/C8H13NO3/c10-5-6-2-4-9-7(11)1-3-8(6,9)12/h6,10,12H,1-5H2/t6-,8-/m1/s1
InChIKeyGGJZFFVIARIPEX-HTRCEHHLSA-N
XLogP-0.69
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 ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 73028037
(7R,8S)-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10749410
(1S,8S)-1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11040914
6-Fluoro-2-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 176120498
(7S,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10511372
(1R,8S)-1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11607952
8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 15341659
8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 15341660
(7R,7aR)-7a-Hydroxy-7-methylhexahydro-3H-pyrrolizin-3-one
CID 71410179
5-Ethoxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 85682767
7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 134918376
3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal
CID 14433784

Frequently Asked Questions

What is the IUPAC name of (7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 101002231) is (7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is O=C1CC[C@@]2(O)[C@@H](CO)CCN12.
What is the InChIKey of (7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is GGJZFFVIARIPEX-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H13NO3/c10-5-6-2-4-9-7(11)1-3-8(6,9)12/h6,10,12H,1-5H2/t6-,8-/m1/s1.
What are the key properties of (7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 171.20 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 101002231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).