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

C11H8N2O4 — CID 106694913

IUPAC3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione
SMILESCc1c(C2=CC(=O)NC2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H8N2O4/c1-6-7(3-2-4-9(6)13(16)17)8-5-10(14)12-11(8)15/h2-5H,1H3,(H,12,14,15)
InChIKeyNWOMLIINZOZZCE-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.94
Rot. Bonds2

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

3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione (PubChem CID 106694913) has the molecular formula C11H8N2O4 and a molecular weight of 232.19 g/mol. Its IUPAC name is 3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione
PubChem CID106694913
Molecular FormulaC11H8N2O4
Molecular Weight232.19 g/mol
Exact Mass232.05
IUPAC Name3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione
SMILESCc1c(C2=CC(=O)NC2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H8N2O4/c1-6-7(3-2-4-9(6)13(16)17)8-5-10(14)12-11(8)15/h2-5H,1H3,(H,12,14,15)
InChIKeyNWOMLIINZOZZCE-UHFFFAOYSA-N
XLogP0.94
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.94
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

3-(2,3-dinitrophenyl)pyrrole-2,5-dione
CID 155271491
4-nitroisoindole-1,3-dione
CID 11779
3-(2,3-dichlorophenyl)pyrrole-2,5-dione
CID 22352874
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
1-chloro-2-methyl-3-nitrobenzene
CID 6740
methyl-(2-methyl-3-nitrophenyl)diazene
CID 59633814
3-(2-methyl-3-nitrophenyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 115391575
4-methyl-3-(2-methyl-3-nitrophenyl)-1H-1,2,4-triazole-5-thione
CID 16764873
3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione
CID 106695119
3-quinolin-8-ylpyrrole-2,5-dione
CID 106694986
(2S,3S)-2,3-dimethyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 10376769
2-methyl-1-methylsulfonyl-3-nitrobenzene
CID 11746002

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione (CID 106694913) is 3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione is Cc1c(C2=CC(=O)NC2=O)cccc1[N+](=O)[O-].
What is the InChIKey of 3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is NWOMLIINZOZZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c1-6-7(3-2-4-9(6)13(16)17)8-5-10(14)12-11(8)15/h2-5H,1H3,(H,12,14,15).
What are the key properties of 3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione?
3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 232.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 106694913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).