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

C8H13NO2 — CID 73028037

IUPAC1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CC(CO)C2CCCN12
InChIInChI=1S/C8H13NO2/c10-5-6-4-8(11)9-3-1-2-7(6)9/h6-7,10H,1-5H2
InChIKeyCOZNEIXMDSBBND-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.01
Rot. Bonds1

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

1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 73028037) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID73028037
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CC(CO)C2CCCN12
InChIInChI=1S/C8H13NO2/c10-5-6-4-8(11)9-3-1-2-7(6)9/h6-7,10H,1-5H2
InChIKeyCOZNEIXMDSBBND-UHFFFAOYSA-N
XLogP-0.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolizin-1-one, 7-hydroxy-
CID 558383
(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 1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 73028037) is 1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1CC(CO)C2CCCN12.
What is the InChIKey of 1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is COZNEIXMDSBBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-5-6-4-8(11)9-3-1-2-7(6)9/h6-7,10H,1-5H2.
What are the key properties of 1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 73028037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).