1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione

C18H17NO4 — CID 122395021

IUPAC1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione
SMILESCOc1cccc(OC)c1N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C18H17NO4/c1-22-14-9-6-10-15(23-2)17(14)19-16(20)11-13(18(19)21)12-7-4-3-5-8-12/h3-10,13H,11H2,1-2H3
InChIKeyCFHVBJSAEZPUMV-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.75
Rot. Bonds4

About 1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione

1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 122395021) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione
PubChem CID122395021
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione
SMILESCOc1cccc(OC)c1N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C18H17NO4/c1-22-14-9-6-10-15(23-2)17(14)19-16(20)11-13(18(19)21)12-7-4-3-5-8-12/h3-10,13H,11H2,1-2H3
InChIKeyCFHVBJSAEZPUMV-UHFFFAOYSA-N
XLogP2.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione
CID 61209255
1-(2-methoxyphenyl)-4-phenylpiperidine-2,6-dione
CID 42628281
1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione
CID 60703087
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704
(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 98188035
8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one
CID 56926900
3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 11725029
1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione
CID 62881401
1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 107334803
1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 65430330
(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 53466595
(3R)-3-[benzyl(methyl)amino]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 754275

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione (CID 122395021) is 1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione is COc1cccc(OC)c1N1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is CFHVBJSAEZPUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-22-14-9-6-10-15(23-2)17(14)19-16(20)11-13(18(19)21)12-7-4-3-5-8-12/h3-10,13H,11H2,1-2H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione?
1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 311.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 122395021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).