[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium

C12H15N2O3+ — CID 7198359

IUPAC[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCCOc1ccc(N2C(=O)C[C@@H]([NH3+])C2=O)cc1
InChIInChI=1S/C12H14N2O3/c1-2-17-9-5-3-8(4-6-9)14-11(15)7-10(13)12(14)16/h3-6,10H,2,7,13H2,1H3/p+1/t10-/m1/s1
InChIKeyWGEGMIILLWSJIS-SNVBAGLBSA-O
MW235.26 g/mol
LogP-0.04
Rot. Bonds3

About [(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium

[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium (PubChem CID 7198359) has the molecular formula C12H15N2O3+ and a molecular weight of 235.26 g/mol. Its IUPAC name is [(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
PubChem CID7198359
Molecular FormulaC12H15N2O3+
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCCOc1ccc(N2C(=O)C[C@@H]([NH3+])C2=O)cc1
InChIInChI=1S/C12H14N2O3/c1-2-17-9-5-3-8(4-6-9)14-11(15)7-10(13)12(14)16/h3-6,10H,2,7,13H2,1H3/p+1/t10-/m1/s1
InChIKeyWGEGMIILLWSJIS-SNVBAGLBSA-O
XLogP-0.04
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-0.04
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

3-(azepan-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 3139879
(3R)-1-(4-ethoxyphenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 7448649
(3R)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 7448646
1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2865163
(3S)-1-(4-ethoxyphenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione
CID 755238
3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 71669987
(3S)-1-(4-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 702410
(3R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 7309131
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865903
(3R)-1-(4-ethoxyphenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 774582
(3R)-1-(4-ethoxyphenyl)-3-thiomorpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 6923599

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The IUPAC name of [(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium (CID 7198359) is [(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium.
What is the SMILES notation for [(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The canonical SMILES for [(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium is CCOc1ccc(N2C(=O)C[C@@H]([NH3+])C2=O)cc1.
What is the InChIKey of [(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The InChIKey is WGEGMIILLWSJIS-SNVBAGLBSA-O. The full InChI is InChI=1S/C12H14N2O3/c1-2-17-9-5-3-8(4-6-9)14-11(15)7-10(13)12(14)16/h3-6,10H,2,7,13H2,1H3/p+1/t10-/m1/s1.
What are the key properties of [(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium has a molecular weight of 235.26 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium is sourced from PubChem (CID 7198359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).