1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione

C17H17NO3 — CID 2952568

IUPAC1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCC(c1ccccc1)C1CC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C17H17NO3/c1-12(13-6-3-2-4-7-13)15-10-16(19)18(17(15)20)11-14-8-5-9-21-14/h2-9,12,15H,10-11H2,1H3
InChIKeyMKURUVKEYHSKKR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.96
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione

1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 2952568) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
PubChem CID2952568
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCC(c1ccccc1)C1CC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C17H17NO3/c1-12(13-6-3-2-4-7-13)15-10-16(19)18(17(15)20)11-14-8-5-9-21-14/h2-9,12,15H,10-11H2,1H3
InChIKeyMKURUVKEYHSKKR-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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-(1-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione (CID 2952568) is 1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione is CC(c1ccccc1)C1CC(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is MKURUVKEYHSKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(13-6-3-2-4-7-13)15-10-16(19)18(17(15)20)11-14-8-5-9-21-14/h2-9,12,15H,10-11H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
1-(furan-2-ylmethyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 283.33 g/mol, XLogP of 2.96, 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-(1-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2952568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).