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

C12H17NO4 — CID 72750965

IUPAC5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one
SMILESCC1=CC(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
InChIKeyMXGXTEJTSNCZDV-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.58
Rot. Bonds4

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

5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one (PubChem CID 72750965) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one
PubChem CID72750965
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one
SMILESCC1=CC(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
InChIKeyMXGXTEJTSNCZDV-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one (CID 72750965) is 5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one is CC1=CC(CCCN2C(=O)CCC2O)OC1=O.
What is the InChIKey of 5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one?
The InChIKey is MXGXTEJTSNCZDV-UHFFFAOYSA-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.
What are the key properties of 5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one?
5-hydroxy-1-[3-(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-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 72750965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).