5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C8H13NO2 — CID 14433781

IUPAC5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC12CCC(=O)N1C(O)CC2
InChIInChI=1S/C8H13NO2/c1-8-4-2-6(10)9(8)7(11)3-5-8/h6,10H,2-5H2,1H3
InChIKeyDWPMEVZCBATTLQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.48
Rot. Bonds

About 5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 14433781) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID14433781
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC12CCC(=O)N1C(O)CC2
InChIInChI=1S/C8H13NO2/c1-8-4-2-6(10)9(8)7(11)3-5-8/h6,10H,2-5H2,1H3
InChIKeyDWPMEVZCBATTLQ-UHFFFAOYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolizin-1-one, 7-hydroxy-
CID 558383
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-7a-(hydroxymethyl)hexahydro-3H-pyrrolizin-3-one
CID 156117399
(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
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

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 14433781) is 5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC12CCC(=O)N1C(O)CC2.
What is the InChIKey of 5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is DWPMEVZCBATTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8-4-2-6(10)9(8)7(11)3-5-8/h6,10H,2-5H2,1H3.
What are the key properties of 5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 14433781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).