3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione

C15H16FNO2 — CID 71861614

IUPAC3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
SMILESC=C(C)CN1C(=O)CC(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C15H16FNO2/c1-10(2)9-17-14(18)8-12(15(17)19)7-11-3-5-13(16)6-4-11/h3-6,12H,1,7-9H2,2H3
InChIKeyUQNTUPJNPCVKMQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.32
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione

3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione (PubChem CID 71861614) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
PubChem CID71861614
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
SMILESC=C(C)CN1C(=O)CC(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C15H16FNO2/c1-10(2)9-17-14(18)8-12(15(17)19)7-11-3-5-13(16)6-4-11/h3-6,12H,1,7-9H2,2H3
InChIKeyUQNTUPJNPCVKMQ-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione (CID 71861614) is 3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione is C=C(C)CN1C(=O)CC(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione?
The InChIKey is UQNTUPJNPCVKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10(2)9-17-14(18)8-12(15(17)19)7-11-3-5-13(16)6-4-11/h3-6,12H,1,7-9H2,2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione?
3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione has a molecular weight of 261.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 71861614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).