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

C8H11NO2 — CID 11073622

IUPAC7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one
SMILESO=C1CCC2C(CO)=CCN12
InChIInChI=1S/C8H11NO2/c10-5-6-3-4-9-7(6)1-2-8(9)11/h3,7,10H,1-2,4-5H2
InChIKeyWCWLLUBKXWXCNA-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.09
Rot. Bonds1

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

7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one (PubChem CID 11073622) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one
PubChem CID11073622
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one
SMILESO=C1CCC2C(CO)=CCN12
InChIInChI=1S/C8H11NO2/c10-5-6-3-4-9-7(6)1-2-8(9)11/h3,7,10H,1-2,4-5H2
InChIKeyWCWLLUBKXWXCNA-UHFFFAOYSA-N
XLogP-0.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,8S)-1-hydroxy-7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one
CID 130830876
(5S)-1-[(E)-2-bromonon-2-enyl]-5-(3-hydroxyprop-1-en-2-yl)pyrrolidin-2-one
CID 10497599
1-[[4-(Hydroxymethyl)cyclohexa-1,3-dien-1-yl]methyl]pyrrolidin-2-one
CID 146669616
(8S)-7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one
CID 10877326
1-Hydroxy-7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one
CID 14021827
8-(1-hydroxybutyl)-2,5,6,8a-tetrahydro-1H-indolizin-3-one
CID 121001969
(1R,8S)-1-hydroxy-7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one
CID 130857838

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one?
The IUPAC name of 7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one (CID 11073622) is 7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one.
What is the SMILES notation for 7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one?
The canonical SMILES for 7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one is O=C1CCC2C(CO)=CCN12.
What is the InChIKey of 7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one?
The InChIKey is WCWLLUBKXWXCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-5-6-3-4-9-7(6)1-2-8(9)11/h3,7,10H,1-2,4-5H2.
What are the key properties of 7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one?
7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one has a molecular weight of 153.18 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-1,2,5,8-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 11073622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).