1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione

C14H18N2O3 — CID 61238081

IUPAC1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCCOc2ccc(N)cc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-10-9-13(17)16(14(10)18)7-2-8-19-12-5-3-11(15)4-6-12/h3-6,10H,2,7-9,15H2,1H3
InChIKeyLLEHZKSROADYMM-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.43
Rot. Bonds5

About 1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione

1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 61238081) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione
PubChem CID61238081
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCCOc2ccc(N)cc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-10-9-13(17)16(14(10)18)7-2-8-19-12-5-3-11(15)4-6-12/h3-6,10H,2,7-9,15H2,1H3
InChIKeyLLEHZKSROADYMM-UHFFFAOYSA-N
XLogP1.43
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propoxy]benzonitrile
CID 61238279
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 98280034
2-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]ethanethioamide
CID 61238288
1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione
CID 61236993
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
1-(6-chlorohexyl)-3-methylpyrrolidine-2,5-dione
CID 62227239
1-[4-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)butyl]-3-methylpyrrolidine-2,5-dione
CID 89185151
3-[2-(4-aminophenoxy)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 61032116
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 103482320
1-[3-(4-aminophenoxy)propyl]-3-methylimidazolidin-2-one
CID 55078835

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione (CID 61238081) is 1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CCCOc2ccc(N)cc2)C1=O.
What is the InChIKey of 1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is LLEHZKSROADYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-9-13(17)16(14(10)18)7-2-8-19-12-5-3-11(15)4-6-12/h3-6,10H,2,7-9,15H2,1H3.
What are the key properties of 1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione?
1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61238081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).