3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione

C11H10FNO3 — CID 82114724

IUPAC3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(F)cc1C1CC(=O)NC1=O
InChIInChI=1S/C11H10FNO3/c1-16-9-3-2-6(12)4-7(9)8-5-10(14)13-11(8)15/h2-4,8H,5H2,1H3,(H,13,14,15)
InChIKeyIHLRIOHMCMFMBL-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.96
Rot. Bonds2

About 3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione

3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 82114724) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID82114724
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(F)cc1C1CC(=O)NC1=O
InChIInChI=1S/C11H10FNO3/c1-16-9-3-2-6(12)4-7(9)8-5-10(14)13-11(8)15/h2-4,8H,5H2,1H3,(H,13,14,15)
InChIKeyIHLRIOHMCMFMBL-UHFFFAOYSA-N
XLogP0.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione
CID 82121676
4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 6462277
5-(5-fluoro-2-methoxyphenyl)piperidin-2-one
CID 82127994
2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one
CID 83834380
3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118512063
2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-one
CID 82781917
4-(2,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3610231
(4S,7S)-7-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7414041
7-(2,5-dimethoxyphenyl)-3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 53047254
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
(7R)-7-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086539
(4S,7S)-4-(2,4-difluorophenyl)-7-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645428

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione (CID 82114724) is 3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(F)cc1C1CC(=O)NC1=O.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is IHLRIOHMCMFMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-16-9-3-2-6(12)4-7(9)8-5-10(14)13-11(8)15/h2-4,8H,5H2,1H3,(H,13,14,15).
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione?
3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 223.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 82114724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).