1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

C17H17NO3 — CID 2928864

IUPAC1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2CC(=O)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C17H17NO3/c1-12-4-6-13(7-5-12)9-14-10-16(19)18(17(14)20)11-15-3-2-8-21-15/h2-8,14H,9-11H2,1H3
InChIKeyYOLUVGBTNHDCSC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.71
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 2928864) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID2928864
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2CC(=O)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C17H17NO3/c1-12-4-6-13(7-5-12)9-14-10-16(19)18(17(14)20)11-15-3-2-8-21-15/h2-8,14H,9-11H2,1H3
InChIKeyYOLUVGBTNHDCSC-UHFFFAOYSA-N
XLogP2.71
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 2928864) is 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is Cc1ccc(CC2CC(=O)N(Cc3ccco3)C2=O)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is YOLUVGBTNHDCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-4-6-13(7-5-12)9-14-10-16(19)18(17(14)20)11-15-3-2-8-21-15/h2-8,14H,9-11H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 283.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2928864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).