3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione

C11H10N2O4 — CID 43155325

IUPAC3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione
SMILESCC1(c2cccc([N+](=O)[O-])c2)CC(=O)NC1=O
InChIInChI=1S/C11H10N2O4/c1-11(6-9(14)12-10(11)15)7-3-2-4-8(5-7)13(16)17/h2-5H,6H2,1H3,(H,12,14,15)
InChIKeyGVBWIMPDTOMTNW-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.90
Rot. Bonds2

About 3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione

3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione (PubChem CID 43155325) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione
PubChem CID43155325
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione
SMILESCC1(c2cccc([N+](=O)[O-])c2)CC(=O)NC1=O
InChIInChI=1S/C11H10N2O4/c1-11(6-9(14)12-10(11)15)7-3-2-4-8(5-7)13(16)17/h2-5H,6H2,1H3,(H,12,14,15)
InChIKeyGVBWIMPDTOMTNW-UHFFFAOYSA-N
XLogP0.90
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione
CID 129396617
[1-(3-nitrophenyl)cyclopropyl]methanol
CID 131010152
2,4,4,5,5-pentamethyl-2-(3-nitrophenyl)-1,3-dioxolane
CID 10378183
3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
CID 43155382
1,3,6,8-tetramethyl-8a-(3-nitrophenyl)-4a,5-dihydro-4H-pyrimido[4,5-d]pyrimidine-2,7-dione
CID 66572942
2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine
CID 169490577
2-(3-nitrophenyl)spiro[3.4]octan-2-amine
CID 103194024
2-(3-nitrophenyl)spiro[3.6]decan-2-amine
CID 103194041
2-(3-nitrophenyl)spiro[3.5]nonan-2-amine
CID 103194032
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-methyl-3-nitrobenzene
CID 7422
3-methyl-1-(3-nitrophenyl)cyclobutane-1-carboxamide
CID 178119315

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione (CID 43155325) is 3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione is CC1(c2cccc([N+](=O)[O-])c2)CC(=O)NC1=O.
What is the InChIKey of 3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione?
The InChIKey is GVBWIMPDTOMTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-11(6-9(14)12-10(11)15)7-3-2-4-8(5-7)13(16)17/h2-5H,6H2,1H3,(H,12,14,15).
What are the key properties of 3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione?
3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione has a molecular weight of 234.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43155325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).