1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione

C11H14N2O3 — CID 147232604

IUPAC1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione
SMILESC=C1CC(C2CC(=O)N(C)C2=O)C(=O)N1C
InChIInChI=1S/C11H14N2O3/c1-6-4-7(10(15)12(6)2)8-5-9(14)13(3)11(8)16/h7-8H,1,4-5H2,2-3H3
InChIKeyCJFBCLKHAMOIOY-UHFFFAOYSA-N
MW222.24 g/mol
LogP-0.02
Rot. Bonds1

About 1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione

1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione (PubChem CID 147232604) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione
PubChem CID147232604
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione
SMILESC=C1CC(C2CC(=O)N(C)C2=O)C(=O)N1C
InChIInChI=1S/C11H14N2O3/c1-6-4-7(10(15)12(6)2)8-5-9(14)13(3)11(8)16/h7-8H,1,4-5H2,2-3H3
InChIKeyCJFBCLKHAMOIOY-UHFFFAOYSA-N
XLogP-0.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.02
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

3-Tert-butyl-1-[6-(3-tert-butylpyrrolidin-1-yl)hept-6-enyl]pyrrolidine-2,5-dione
CID 132222690
1-[6-[3-(2-Methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134403479
Methane;1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione
CID 157758371
3-Methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione
CID 167093451

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione (CID 147232604) is 1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione is C=C1CC(C2CC(=O)N(C)C2=O)C(=O)N1C.
What is the InChIKey of 1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione?
The InChIKey is CJFBCLKHAMOIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-6-4-7(10(15)12(6)2)8-5-9(14)13(3)11(8)16/h7-8H,1,4-5H2,2-3H3.
What are the key properties of 1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione?
1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione has a molecular weight of 222.24 g/mol, XLogP of -0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 147232604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).