3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

C18H15NO6 — CID 557217

IUPAC3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C18H15NO6/c1-10(20)15-16(11-4-5-13-14(7-11)25-9-24-13)19(18(22)17(15)21)8-12-3-2-6-23-12/h2-7,16,21H,8-9H2,1H3
InChIKeyFUVPXJLPHWGWDT-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.49
Rot. Bonds4

About 3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 557217) has the molecular formula C18H15NO6 and a molecular weight of 341.32 g/mol. Its IUPAC name is 3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID557217
Molecular FormulaC18H15NO6
Molecular Weight341.32 g/mol
Exact Mass341.09
IUPAC Name3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C18H15NO6/c1-10(20)15-16(11-4-5-13-14(7-11)25-9-24-13)19(18(22)17(15)21)8-12-3-2-6-23-12/h2-7,16,21H,8-9H2,1H3
InChIKeyFUVPXJLPHWGWDT-UHFFFAOYSA-N
XLogP2.49
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-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 3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (CID 557217) is 3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccc2c(c1)OCO2.
What is the InChIKey of 3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is FUVPXJLPHWGWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO6/c1-10(20)15-16(11-4-5-13-14(7-11)25-9-24-13)19(18(22)17(15)21)8-12-3-2-6-23-12/h2-7,16,21H,8-9H2,1H3.
What are the key properties of 3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 341.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 557217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).