3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione

C10H9N3O4 — CID 3749980

IUPAC3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
SMILESNC1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C10H9N3O4/c11-8-5-9(14)12(10(8)15)6-1-3-7(4-2-6)13(16)17/h1-4,8H,5,11H2
InChIKeyUZSPTZBSWXIJBI-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.19
Rot. Bonds2

About 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione

3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione (PubChem CID 3749980) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
PubChem CID3749980
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
SMILESNC1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C10H9N3O4/c11-8-5-9(14)12(10(8)15)6-1-3-7(4-2-6)13(16)17/h1-4,8H,5,11H2
InChIKeyUZSPTZBSWXIJBI-UHFFFAOYSA-N
XLogP0.19
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
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

(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7336293
2-[(3R)-1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]-2-[(3S)-1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]propanedinitrile
CID 98143653
(3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 7310610
3-(2-aminoethylsulfanyl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 43827047
(3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7104101
(3S)-3-(diethylamino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7065781
(3S)-1-(4-iodophenyl)-3-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 98105738
(3R)-3-(diethylamino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7065779
(3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7394441
1-(4-nitrophenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865818
(3S)-1-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 6925332
3-(4-nitroanilino)-1-phenylpyrrolidine-2,5-dione
CID 19163761

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione (CID 3749980) is 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione is NC1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
The InChIKey is UZSPTZBSWXIJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c11-8-5-9(14)12(10(8)15)6-1-3-7(4-2-6)13(16)17/h1-4,8H,5,11H2.
What are the key properties of 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione has a molecular weight of 235.20 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3749980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).