3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione

C13H16N2O3 — CID 65301281

IUPAC3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCn1ccc(C(=O)CN2C(=O)CC(C)(C)C2=O)c1
InChIInChI=1S/C13H16N2O3/c1-13(2)6-11(17)15(12(13)18)8-10(16)9-4-5-14(3)7-9/h4-5,7H,6,8H2,1-3H3
InChIKeyJSRGPBNQMDRMES-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.99
Rot. Bonds3

About 3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione

3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 65301281) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID65301281
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCn1ccc(C(=O)CN2C(=O)CC(C)(C)C2=O)c1
InChIInChI=1S/C13H16N2O3/c1-13(2)6-11(17)15(12(13)18)8-10(16)9-4-5-14(3)7-9/h4-5,7H,6,8H2,1-3H3
InChIKeyJSRGPBNQMDRMES-UHFFFAOYSA-N
XLogP0.99
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 65301281) is 3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione is Cn1ccc(C(=O)CN2C(=O)CC(C)(C)C2=O)c1.
What is the InChIKey of 3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is JSRGPBNQMDRMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2)6-11(17)15(12(13)18)8-10(16)9-4-5-14(3)7-9/h4-5,7H,6,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 248.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 65301281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).