(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione

C12H13NO3 — CID 53466595

IUPAC(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1cccc([C@H]2CC(=O)N(C)C2=O)c1
InChIInChI=1S/C12H13NO3/c1-13-11(14)7-10(12(13)15)8-4-3-5-9(6-8)16-2/h3-6,10H,7H2,1-2H3/t10-/m1/s1
InChIKeyXOPJAFIUZUDTCS-SNVBAGLBSA-N
MW219.24 g/mol
LogP1.17
Rot. Bonds2

About (3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione

(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 53466595) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID53466595
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1cccc([C@H]2CC(=O)N(C)C2=O)c1
InChIInChI=1S/C12H13NO3/c1-13-11(14)7-10(12(13)15)8-4-3-5-9(6-8)16-2/h3-6,10H,7H2,1-2H3/t10-/m1/s1
InChIKeyXOPJAFIUZUDTCS-SNVBAGLBSA-N
XLogP1.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.17
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

3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 3050266
1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 177405211
(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione
CID 98056157
(3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione
CID 101365658
(4R)-1-methoxy-4-(3-methoxyphenyl)-6,8-dimethyl-3,4-dihydroquinolin-2-one
CID 144913515
3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 60872220
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
(3S)-3-(3-methoxyphenyl)oxolane-2,5-dione
CID 98232209
3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione
CID 70971674
3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione
CID 612725
1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione
CID 59172842
7-(3-methoxyphenyl)-3-methyl-4-phenyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949760

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione (CID 53466595) is (3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione is COc1cccc([C@H]2CC(=O)N(C)C2=O)c1.
What is the InChIKey of (3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is XOPJAFIUZUDTCS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13NO3/c1-13-11(14)7-10(12(13)15)8-4-3-5-9(6-8)16-2/h3-6,10H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 53466595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).