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

C15H16FNO2 — CID 96529480

IUPAC(3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
SMILESC=C(C)CN1C(=O)C[C@@H](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/t12-/m1/s1
InChIKeyUQNTUPJNPCVKMQ-GFCCVEGCSA-N
MW261.30 g/mol
LogP2.32
Rot. Bonds4

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

(3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione (PubChem CID 96529480) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is (3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
PubChem CID96529480
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name(3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
SMILESC=C(C)CN1C(=O)C[C@@H](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/t12-/m1/s1
InChIKeyUQNTUPJNPCVKMQ-GFCCVEGCSA-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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Related Compounds

3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
CID 71861614
3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide
CID 98177833
2-[3-[(4-tert-butylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458273
5-[(4-fluorophenyl)methyl]-3-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinane-2,4-dione
CID 167946561
2-[3-[(3,5-difluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458255
2-[(3S)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 125130792
(3S)-3-[(4-fluorophenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-2,5-dione
CID 97319052
2-[3-[(3-chloro-4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458270
3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2910200
3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2868769
3-benzyl-1-ethylpyrrolidine-2,5-dione
CID 3063281
(3R)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 98202152

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione (CID 96529480) is (3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione is C=C(C)CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O.
What is the InChIKey of (3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione?
The InChIKey is UQNTUPJNPCVKMQ-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of (3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione?
(3R)-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 (3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 96529480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).