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

C8H13NO2 — CID 143517487

IUPAC2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCC1(O)CC2CCCN2C1=O
InChIInChI=1S/C8H13NO2/c1-8(11)5-6-3-2-4-9(6)7(8)10/h6,11H,2-5H2,1H3
InChIKeyLWNRKYVMJQVFRB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.13
Rot. Bonds

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

2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 143517487) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID143517487
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCC1(O)CC2CCCN2C1=O
InChIInChI=1S/C8H13NO2/c1-8(11)5-6-3-2-4-9(6)7(8)10/h6,11H,2-5H2,1H3
InChIKeyLWNRKYVMJQVFRB-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dihydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 44406622
8-Ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one
CID 165162988
6-Fluoro-6-hydroxy-8-methyl-1,2,5,7-tetrahydropyrrolizin-3-one
CID 172288548
(6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 155630018
(6S,8S)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 165162938
8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 165163038
(6S,8S)-6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 170314792
7-Ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 175699874
(7S,8S)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 102052256
(7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 102052257
6-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 156645510

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one (CID 143517487) is 2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one is CC1(O)CC2CCCN2C1=O.
What is the InChIKey of 2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is LWNRKYVMJQVFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(11)5-6-3-2-4-9(6)7(8)10/h6,11H,2-5H2,1H3.
What are the key properties of 2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 143517487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).