1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione

C13H15NO3 — CID 82116147

IUPAC1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1OCCN1C(=O)CCC1=O
InChIInChI=1S/C13H15NO3/c1-10-4-2-3-5-11(10)17-9-8-14-12(15)6-7-13(14)16/h2-5H,6-9H2,1H3
InChIKeyNXRKZZYZKFHKQG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.52
Rot. Bonds4

About 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione

1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione (PubChem CID 82116147) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
PubChem CID82116147
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1OCCN1C(=O)CCC1=O
InChIInChI=1S/C13H15NO3/c1-10-4-2-3-5-11(10)17-9-8-14-12(15)6-7-13(14)16/h2-5H,6-9H2,1H3
InChIKeyNXRKZZYZKFHKQG-UHFFFAOYSA-N
XLogP1.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 82134275
1-[3-(2-methylphenoxy)propyl]pyrrole-2,5-dione
CID 94688559
1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione
CID 66061863
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 82092299
3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione
CID 43365808
1-[2-[4-[2-(2,3-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonylethyl]pyrrolidine-2,5-dione
CID 46969271
2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid
CID 61379420
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
CID 86993650
1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione
CID 8597515
2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid
CID 61379508
N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide
CID 92619974

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione (CID 82116147) is 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione is Cc1ccccc1OCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione?
The InChIKey is NXRKZZYZKFHKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-10-4-2-3-5-11(10)17-9-8-14-12(15)6-7-13(14)16/h2-5H,6-9H2,1H3.
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione?
1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 82116147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).