[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium

C16H23N2O2+ — CID 6947342

IUPAC[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium
SMILESCC[NH+](CC)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1=O
InChIInChI=1S/C16H22N2O2/c1-5-17(6-2)13-10-14(19)18(16(13)20)15-11(3)8-7-9-12(15)4/h7-9,13H,5-6,10H2,1-4H3/p+1/t13-/m1/s1
InChIKeyBOPREVQCNLHSHR-CYBMUJFWSA-O
MW275.37 g/mol
LogP0.86
Rot. Bonds4

About [(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium

[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium (PubChem CID 6947342) has the molecular formula C16H23N2O2+ and a molecular weight of 275.37 g/mol. Its IUPAC name is [(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium.

Molecular Properties

Compound Name[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium
PubChem CID6947342
Molecular FormulaC16H23N2O2+
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium
SMILESCC[NH+](CC)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1=O
InChIInChI=1S/C16H22N2O2/c1-5-17(6-2)13-10-14(19)18(16(13)20)15-11(3)8-7-9-12(15)4/h7-9,13H,5-6,10H2,1-4H3/p+1/t13-/m1/s1
InChIKeyBOPREVQCNLHSHR-CYBMUJFWSA-O
XLogP0.86
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434877
[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434876
[(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium
CID 7303462
(3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188012
ethyl 2-[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetate
CID 51568510
2-[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid
CID 51568509
3-(cyclopropylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 71670680
diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium
CID 6988170
(3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2689028
1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
CID 24614711
1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 662096
[(3S)-1-[4-(2-butoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]-diethylazanium
CID 7323110

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium?
The IUPAC name of [(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium (CID 6947342) is [(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium.
What is the SMILES notation for [(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium?
The canonical SMILES for [(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium is CC[NH+](CC)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1=O.
What is the InChIKey of [(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium?
The InChIKey is BOPREVQCNLHSHR-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H22N2O2/c1-5-17(6-2)13-10-14(19)18(16(13)20)15-11(3)8-7-9-12(15)4/h7-9,13H,5-6,10H2,1-4H3/p+1/t13-/m1/s1.
What are the key properties of [(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium?
[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium has a molecular weight of 275.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium is sourced from PubChem (CID 6947342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).