3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione

C12H16N2O4 — CID 113224932

IUPAC3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C12H16N2O4/c1-9-8-11(16)14(12(9)17)3-2-10(15)13-4-6-18-7-5-13/h8H,2-7H2,1H3
InChIKeyMYZGBCVWCBTDHF-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.45
Rot. Bonds3

About 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione

3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione (PubChem CID 113224932) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione
PubChem CID113224932
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C12H16N2O4/c1-9-8-11(16)14(12(9)17)3-2-10(15)13-4-6-18-7-5-13/h8H,2-7H2,1H3
InChIKeyMYZGBCVWCBTDHF-UHFFFAOYSA-N
XLogP-0.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.45
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-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
CID 60655462
(1R,2S,6R,7R)-4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 129450185
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17033693
bis(7-(3-methyl-2,5-dioxopyrrol-1-yl)heptanoic acid);zinc
CID 162224354
2-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110284700
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028
CID 174047214
CID 174047214
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-4aH-quinazolin-4-one
CID 78341536
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 4769764

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione (CID 113224932) is 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione is CC1=CC(=O)N(CCC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione?
The InChIKey is MYZGBCVWCBTDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-9-8-11(16)14(12(9)17)3-2-10(15)13-4-6-18-7-5-13/h8H,2-7H2,1H3.
What are the key properties of 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione?
3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione has a molecular weight of 252.27 g/mol, XLogP of -0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione is sourced from PubChem (CID 113224932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).