3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione

C13H16N2O2 — CID 86166915

IUPAC3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione
SMILESCCCC1(c2ccc(N)cc2)CC(=O)NC1=O
InChIInChI=1S/C13H16N2O2/c1-2-7-13(8-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
InChIKeyHJUUVUVUVMMXKE-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.35
Rot. Bonds3

About 3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione

3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione (PubChem CID 86166915) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione
PubChem CID86166915
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione
SMILESCCCC1(c2ccc(N)cc2)CC(=O)NC1=O
InChIInChI=1S/C13H16N2O2/c1-2-7-13(8-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
InChIKeyHJUUVUVUVMMXKE-UHFFFAOYSA-N
XLogP1.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Aminoglutethimide
CID 2145
3-(4-Aminophenyl)-1-(1-pyrrolidinyl)-1-propanone
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CID 313100
3-(4'-Aminophenyl)-3-ethylpyrollidine-2,5-dione
CID 124662
3-(4-Aminophenyl)-3-methylpyrrolidine-2,5-dione
CID 13596072
3-(4-Aminophenyl)-3-cyclohexylpiperidine-2,6-dione
CID 126253
N-(4-(3-Ethyl-2,6-dioxo-3-piperidinyl)phenyl)acetamide
CID 38050
3-(4'-Aminophenyl)pyrrolidine-2,5-dione
CID 161760
3-(4-Amino-phenyl)-3-pentyl-piperidine-2,6-dione
CID 13660221
N-[4-[3-(4-acetamidophenyl)-2-oxo-1H-indol-3-yl]phenyl]acetamide
CID 2893820
3-(Cyclohexylmethyl)-1-(4-aminophenyl)-3-azabicyclo(3.1.0)hexane-2,4-dione
CID 125921
1-(4-Aminophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 14068934

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione (CID 86166915) is 3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione is CCCC1(c2ccc(N)cc2)CC(=O)NC1=O.
What is the InChIKey of 3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione?
The InChIKey is HJUUVUVUVMMXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-7-13(8-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17).
What are the key properties of 3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione?
3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-3-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 86166915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).