1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione

C14H17NO3 — CID 134105856

IUPAC1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione
SMILESCCOCc1cccc(N2C(=O)CCC2=O)c1C
InChIInChI=1S/C14H17NO3/c1-3-18-9-11-5-4-6-12(10(11)2)15-13(16)7-8-14(15)17/h4-6H,3,7-9H2,1-2H3
InChIKeySVGPZTMFGODUIQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.18
Rot. Bonds4

About 1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione

1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione (PubChem CID 134105856) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione
PubChem CID134105856
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione
SMILESCCOCc1cccc(N2C(=O)CCC2=O)c1C
InChIInChI=1S/C14H17NO3/c1-3-18-9-11-5-4-6-12(10(11)2)15-13(16)7-8-14(15)17/h4-6H,3,7-9H2,1-2H3
InChIKeySVGPZTMFGODUIQ-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 17035334
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333
4-(3-bromo-2-methylphenyl)morpholine-3,5-dione
CID 107640888
1-[2-(methylaminomethyl)phenyl]azepane-2,7-dione
CID 61350563
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine
CID 117181731
ethane;2-(ethoxymethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]benzoic acid
CID 170757268
2-[2-(2,7-dioxoazepan-1-yl)phenyl]acetic acid
CID 62534780
1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione
CID 107467220
CID 86730690
CID 86730690
[2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane
CID 22382330

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione (CID 134105856) is 1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione is CCOCc1cccc(N2C(=O)CCC2=O)c1C.
What is the InChIKey of 1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione?
The InChIKey is SVGPZTMFGODUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-18-9-11-5-4-6-12(10(11)2)15-13(16)7-8-14(15)17/h4-6H,3,7-9H2,1-2H3.
What are the key properties of 1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione?
1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione has a molecular weight of 247.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)-2-methylphenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134105856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).