3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione

C13H20N2O3 — CID 25246712

IUPAC3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CCCN2CCOCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-10-11(2)13(17)15(12(10)16)5-3-4-14-6-8-18-9-7-14/h3-9H2,1-2H3
InChIKeyIJMPJPLRMXPHEA-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.41
Rot. Bonds4

About 3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione

3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione (PubChem CID 25246712) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
PubChem CID25246712
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CCCN2CCOCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-10-11(2)13(17)15(12(10)16)5-3-4-14-6-8-18-9-7-14/h3-9H2,1-2H3
InChIKeyIJMPJPLRMXPHEA-UHFFFAOYSA-N
XLogP0.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
3-(3,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110549525
3-(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110579159
3-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110544425
2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 2148149
3-(3,5-dimethylanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
CID 110594911
3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547159
6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione
CID 6125753
3-morpholin-4-yl-1-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541886
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
CID 110560193
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one
CID 168858795

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione (CID 25246712) is 3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione is CC1=C(C)C(=O)N(CCCN2CCOCC2)C1=O.
What is the InChIKey of 3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione?
The InChIKey is IJMPJPLRMXPHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-11(2)13(17)15(12(10)16)5-3-4-14-6-8-18-9-7-14/h3-9H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione?
3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione has a molecular weight of 252.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 25246712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).