1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione

C13H16N2O2 — CID 61351324

IUPAC1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione
SMILESCCNCc1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C13H16N2O2/c1-2-14-9-10-4-3-5-11(8-10)15-12(16)6-7-13(15)17/h3-5,8,14H,2,6-7,9H2,1H3
InChIKeyFPYPBOVKHYJDEH-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.45
Rot. Bonds4

About 1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione

1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 61351324) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID61351324
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione
SMILESCCNCc1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C13H16N2O2/c1-2-14-9-10-4-3-5-11(8-10)15-12(16)6-7-13(15)17/h3-5,8,14H,2,6-7,9H2,1H3
InChIKeyFPYPBOVKHYJDEH-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
2-[3-(ethylaminomethyl)phenyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886057
3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one
CID 61349238
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
3-(ethylaminomethyl)benzaldehyde
CID 90105279
1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444
1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione
CID 70995531
N-[(3-nitrosophenyl)methyl]ethanamine
CID 89069550
[3-(2,5-dioxopyrrolidin-1-yl)phenyl] acetate
CID 761230
4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione
CID 61328558
3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 7772353

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione (CID 61351324) is 1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione is CCNCc1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is FPYPBOVKHYJDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-14-9-10-4-3-5-11(8-10)15-12(16)6-7-13(15)17/h3-5,8,14H,2,6-7,9H2,1H3.
What are the key properties of 1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione?
1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 61351324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).