3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione

C11H16N2O3 — CID 79071422

IUPAC3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC2CN(C)CCO2)C1=O
InChIInChI=1S/C11H16N2O3/c1-8-5-10(14)13(11(8)15)7-9-6-12(2)3-4-16-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyAIPYRBQHJBIEEF-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.37
Rot. Bonds2

About 3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione

3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione (PubChem CID 79071422) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione
PubChem CID79071422
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC2CN(C)CCO2)C1=O
InChIInChI=1S/C11H16N2O3/c1-8-5-10(14)13(11(8)15)7-9-6-12(2)3-4-16-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyAIPYRBQHJBIEEF-UHFFFAOYSA-N
XLogP-0.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.37
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

3-[(4-methylmorpholin-2-yl)methyl]imidazolidine-2,4-dione
CID 103936187
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
CID 116622203
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79172063
4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175165
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79171085
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078126
4-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-one
CID 79071600
1-[(4-methylmorpholin-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777308
5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175166
4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175249
7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79174305

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione (CID 79071422) is 3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione is CC1=CC(=O)N(CC2CN(C)CCO2)C1=O.
What is the InChIKey of 3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione?
The InChIKey is AIPYRBQHJBIEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-5-10(14)13(11(8)15)7-9-6-12(2)3-4-16-9/h5,9H,3-4,6-7H2,1-2H3.
What are the key properties of 3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione?
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione has a molecular weight of 224.26 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 79071422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).