3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione

C11H11N3O5 — CID 62881212

IUPAC3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione
SMILESCOc1cc([N+](=O)[O-])ccc1NC1CC(=O)NC1=O
InChIInChI=1S/C11H11N3O5/c1-19-9-4-6(14(17)18)2-3-7(9)12-8-5-10(15)13-11(8)16/h2-4,8,12H,5H2,1H3,(H,13,15,16)
InChIKeyRGCMAAVKVJOYNN-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.43
Rot. Bonds4

About 3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione

3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione (PubChem CID 62881212) has the molecular formula C11H11N3O5 and a molecular weight of 265.23 g/mol. Its IUPAC name is 3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione
PubChem CID62881212
Molecular FormulaC11H11N3O5
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione
SMILESCOc1cc([N+](=O)[O-])ccc1NC1CC(=O)NC1=O
InChIInChI=1S/C11H11N3O5/c1-19-9-4-6(14(17)18)2-3-7(9)12-8-5-10(15)13-11(8)16/h2-4,8,12H,5H2,1H3,(H,13,15,16)
InChIKeyRGCMAAVKVJOYNN-UHFFFAOYSA-N
XLogP0.43
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-bromo-4-nitroanilino)pyrrolidine-2,5-dione
CID 107810815
3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43637753
N-(2-methoxy-4-nitrophenyl)-5-methylthiolan-3-amine
CID 79942640
N-(2-methoxy-4-nitrophenyl)oxepan-4-amine
CID 65081486
2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline
CID 103826250
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
2-methoxy-N-(2-methylsulfonylcyclopentyl)-4-nitroaniline
CID 65044035
1-[(2-methoxy-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62881395
2-methoxy-4-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79708090
3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione
CID 178017408
(2-methoxy-4-nitrophenyl)hydrazine;phosphoric acid
CID 138619587
3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione
CID 106694928

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione (CID 62881212) is 3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione is COc1cc([N+](=O)[O-])ccc1NC1CC(=O)NC1=O.
What is the InChIKey of 3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione?
The InChIKey is RGCMAAVKVJOYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5/c1-19-9-4-6(14(17)18)2-3-7(9)12-8-5-10(15)13-11(8)16/h2-4,8,12H,5H2,1H3,(H,13,15,16).
What are the key properties of 3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione?
3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione has a molecular weight of 265.23 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 62881212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).