3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione

C10H14N2O3 — CID 143529364

IUPAC3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione
SMILESC=C1CC(C)C(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/C6H9NO.C4H5NO2/c1-4-3-5(2)7-6(4)8;6-3-1-2-4(7)5-3/h4H,2-3H2,1H3,(H,7,8);1-2H2,(H,5,6,7)
InChIKeyACVBLIIVULRHQC-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.08
Rot. Bonds

About 3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione

3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione (PubChem CID 143529364) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione
PubChem CID143529364
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione
SMILESC=C1CC(C)C(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/C6H9NO.C4H5NO2/c1-4-3-5(2)7-6(4)8;6-3-1-2-4(7)5-3/h4H,2-3H2,1H3,(H,7,8);1-2H2,(H,5,6,7)
InChIKeyACVBLIIVULRHQC-UHFFFAOYSA-N
XLogP0.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethane;3-methylpyrrolidine-2,5-dione;propane
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CID 174652792
CID 70395227
CID 70395227
CID 157384744
CID 157384744
2-methylprop-1-ene;pyrrolidine-2,5-dione
CID 22145183
dimethylsulfanium;pyrrolidine-2,5-dione;chloride
CID 22025404
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CID 13082108
CID 153393837
CID 153393837
pyrrolidine-2,5-dione;sulfanylidenemolybdenum
CID 158754348
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CID 155634994
3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 12742313

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione (CID 143529364) is 3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione is C=C1CC(C)C(=O)N1.O=C1CCC(=O)N1.
What is the InChIKey of 3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione?
The InChIKey is ACVBLIIVULRHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H5NO2/c1-4-3-5(2)7-6(4)8;6-3-1-2-4(7)5-3/h4H,2-3H2,1H3,(H,7,8);1-2H2,(H,5,6,7).
What are the key properties of 3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione?
3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione has a molecular weight of 210.23 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione is sourced from PubChem (CID 143529364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).