1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C8H13NO3 — CID 14191081

IUPAC1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CC(O)C2C(CO)CCN12
InChIInChI=1S/C8H13NO3/c10-4-5-1-2-9-7(12)3-6(11)8(5)9/h5-6,8,10-11H,1-4H2
InChIKeyIXVCYXDKOTVCCP-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.04
Rot. Bonds1

About 1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 14191081) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID14191081
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CC(O)C2C(CO)CCN12
InChIInChI=1S/C8H13NO3/c10-4-5-1-2-9-7(12)3-6(11)8(5)9/h5-6,8,10-11H,1-4H2
InChIKeyIXVCYXDKOTVCCP-UHFFFAOYSA-N
XLogP-1.04
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 ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dihydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 44406622
1,2-Dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 44406623
(1R,8S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 402681
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
Rel-(2R,6R,7aS)-2-fluoro-6-hydroxy-7a-(hydroxymethyl)hexahydro-3H-pyrrolizin-3-one
CID 166137199
6-Fluoro-2-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 176120498
hydroxyhexahydro-3H-pyrrolizin-3-one
CID 13994056
(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

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 14191081) is 1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1CC(O)C2C(CO)CCN12.
What is the InChIKey of 1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is IXVCYXDKOTVCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-4-5-1-2-9-7(12)3-6(11)8(5)9/h5-6,8,10-11H,1-4H2.
What are the key properties of 1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 171.20 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 14191081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).