1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione

C13H15NO3 — CID 177405211

IUPAC1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(c2cccc(OC)c2)C1=O
InChIInChI=1S/C13H15NO3/c1-3-14-12(15)8-11(13(14)16)9-5-4-6-10(7-9)17-2/h4-7,11H,3,8H2,1-2H3
InChIKeyHQJNNQCGXVZMHG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.56
Rot. Bonds3

About 1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione

1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 177405211) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID177405211
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(c2cccc(OC)c2)C1=O
InChIInChI=1S/C13H15NO3/c1-3-14-12(15)8-11(13(14)16)9-5-4-6-10(7-9)17-2/h4-7,11H,3,8H2,1-2H3
InChIKeyHQJNNQCGXVZMHG-UHFFFAOYSA-N
XLogP1.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 53466595
(3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 98108371
(3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 98176099
1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione
CID 59172842
(4R)-1-methoxy-4-(3-methoxyphenyl)-6,8-dimethyl-3,4-dihydroquinolin-2-one
CID 144913515
1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
CID 141342791
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione
CID 45094834
(3S)-3-(3-methoxyphenyl)oxolane-2,5-dione
CID 98232209
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 3050266

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione (CID 177405211) is 1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione is CCN1C(=O)CC(c2cccc(OC)c2)C1=O.
What is the InChIKey of 1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is HQJNNQCGXVZMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-14-12(15)8-11(13(14)16)9-5-4-6-10(7-9)17-2/h4-7,11H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione?
1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 177405211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).