3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione

C12H16N2O3 — CID 113408640

IUPAC3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(C)C(=O)N2CCCC2)C1=O
InChIInChI=1S/C12H16N2O3/c1-8-7-10(15)14(11(8)16)9(2)12(17)13-5-3-4-6-13/h7,9H,3-6H2,1-2H3
InChIKeyZJJFUYYOWCNYML-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.31
Rot. Bonds2

About 3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione

3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione (PubChem CID 113408640) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione
PubChem CID113408640
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(C)C(=O)N2CCCC2)C1=O
InChIInChI=1S/C12H16N2O3/c1-8-7-10(15)14(11(8)16)9(2)12(17)13-5-3-4-6-13/h7,9H,3-6H2,1-2H3
InChIKeyZJJFUYYOWCNYML-UHFFFAOYSA-N
XLogP0.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione with MolForge

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Related Compounds

4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 18851895
3-(1-oxo-1-piperidin-1-ylpropan-2-yl)imidazolidine-2,4-dione
CID 113218073
3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7916573
(1R,2S,6R,7R,8S,10S)-4-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98137740
(1S,2S,6R,7S,8S,10R)-4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124714851
methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate
CID 60975925
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
CID 43083770
2-(4-hydroxypyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 155928497
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 46276085
(1S,2R,6R,7S,8S,9R)-8,9-dibromo-4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98164549
6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 114581847
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione (CID 113408640) is 3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione is CC1=CC(=O)N(C(C)C(=O)N2CCCC2)C1=O.
What is the InChIKey of 3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione?
The InChIKey is ZJJFUYYOWCNYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-7-10(15)14(11(8)16)9(2)12(17)13-5-3-4-6-13/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione?
3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 113408640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).