5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione

C22H23NO7 — CID 91898081

IUPAC5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CC2CCCO2)cc1OC
InChIInChI=1S/C22H23NO7/c1-27-15-8-7-13(11-17(15)28-2)19-18(20(24)16-6-4-10-30-16)21(25)22(26)23(19)12-14-5-3-9-29-14/h4,6-8,10-11,14,18-19H,3,5,9,12H2,1-2H3
InChIKeyIQGODOYFXZSWNI-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.43
Rot. Bonds7

About 5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione

5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione (PubChem CID 91898081) has the molecular formula C22H23NO7 and a molecular weight of 413.43 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
PubChem CID91898081
Molecular FormulaC22H23NO7
Molecular Weight413.43 g/mol
Exact Mass413.15
IUPAC Name5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CC2CCCO2)cc1OC
InChIInChI=1S/C22H23NO7/c1-27-15-8-7-13(11-17(15)28-2)19-18(20(24)16-6-4-10-30-16)21(25)22(26)23(19)12-14-5-3-9-29-14/h4,6-8,10-11,14,18-19H,3,5,9,12H2,1-2H3
InChIKeyIQGODOYFXZSWNI-UHFFFAOYSA-N
XLogP2.43
TPSA95.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione 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-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione (CID 91898081) is 5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione is COc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CC2CCCO2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione?
The InChIKey is IQGODOYFXZSWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO7/c1-27-15-8-7-13(11-17(15)28-2)19-18(20(24)16-6-4-10-30-16)21(25)22(26)23(19)12-14-5-3-9-29-14/h4,6-8,10-11,14,18-19H,3,5,9,12H2,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione?
5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione has a molecular weight of 413.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91898081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).