3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione

C12H12N2O5 — CID 612725

IUPAC3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1ccc([N+](=O)[O-])c(C2CC(=O)N(C)C2=O)c1
InChIInChI=1S/C12H12N2O5/c1-13-11(15)6-9(12(13)16)8-5-7(19-2)3-4-10(8)14(17)18/h3-5,9H,6H2,1-2H3
InChIKeyYQQDPSOZJRHMQF-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.08
Rot. Bonds3

About 3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione

3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 612725) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID612725
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1ccc([N+](=O)[O-])c(C2CC(=O)N(C)C2=O)c1
InChIInChI=1S/C12H12N2O5/c1-13-11(15)6-9(12(13)16)8-5-7(19-2)3-4-10(8)14(17)18/h3-5,9H,6H2,1-2H3
InChIKeyYQQDPSOZJRHMQF-UHFFFAOYSA-N
XLogP1.08
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2R)-2-(5-methoxy-2-nitrophenyl)cyclopropane-1-carbaldehyde
CID 54256806
3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 3050266
4-chloro-1-(5-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168687807
1-(5-methoxy-2-nitrophenyl)-4-sulfanylpyrrolidin-2-one
CID 168708565
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
17-(4-methoxy-2-nitrophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3136626
4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168702293
(15R,19R)-17-(4-methoxy-2-nitrophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 40653466
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
S-[1-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705239
(3R)-3-(azepan-1-yl)-1-(4-methoxy-2-nitrophenyl)pyrrolidine-2,5-dione
CID 7310714
ethane;5-methoxy-2-nitrophenol
CID 143133372

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione (CID 612725) is 3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione is COc1ccc([N+](=O)[O-])c(C2CC(=O)N(C)C2=O)c1.
What is the InChIKey of 3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is YQQDPSOZJRHMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-13-11(15)6-9(12(13)16)8-5-7(19-2)3-4-10(8)14(17)18/h3-5,9H,6H2,1-2H3.
What are the key properties of 3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione?
3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 264.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 612725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).