5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one

C12H17NO4 — CID 11207174

IUPAC5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one
SMILESCC1=C[C@@H](CCCN2C(=O)CCC2O)OC1=O
InChIInChI=1S/C12H17NO4/c1-8-7-9(17-12(8)16)3-2-6-13-10(14)4-5-11(13)15/h7,9-10,14H,2-6H2,1H3/t9-,10?/m1/s1
InChIKeyMXGXTEJTSNCZDV-YHMJZVADSA-N
MW239.27 g/mol
LogP0.58
Rot. Bonds4

About 5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one

5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one (PubChem CID 11207174) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one
PubChem CID11207174
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one
SMILESCC1=C[C@@H](CCCN2C(=O)CCC2O)OC1=O
InChIInChI=1S/C12H17NO4/c1-8-7-9(17-12(8)16)3-2-6-13-10(14)4-5-11(13)15/h7,9-10,14H,2-6H2,1H3/t9-,10?/m1/s1
InChIKeyMXGXTEJTSNCZDV-YHMJZVADSA-N
XLogP0.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one (CID 11207174) is 5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one is CC1=C[C@@H](CCCN2C(=O)CCC2O)OC1=O.
What is the InChIKey of 5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one?
The InChIKey is MXGXTEJTSNCZDV-YHMJZVADSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8-7-9(17-12(8)16)3-2-6-13-10(14)4-5-11(13)15/h7,9-10,14H,2-6H2,1H3/t9-,10?/m1/s1.
What are the key properties of 5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one?
5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one has a molecular weight of 239.27 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 11207174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).