1-methyl-3-morpholin-4-ylpyrrole-2,5-dione

C9H12N2O3 — CID 5302612

IUPAC1-methyl-3-morpholin-4-ylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(N2CCOCC2)C1=O
InChIInChI=1S/C9H12N2O3/c1-10-8(12)6-7(9(10)13)11-2-4-14-5-3-11/h6H,2-5H2,1H3
InChIKeyDCXJAUSLTAJXSF-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.80
Rot. Bonds1

About 1-methyl-3-morpholin-4-ylpyrrole-2,5-dione

1-methyl-3-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 5302612) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-methyl-3-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-morpholin-4-ylpyrrole-2,5-dione
PubChem CID5302612
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-methyl-3-morpholin-4-ylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(N2CCOCC2)C1=O
InChIInChI=1S/C9H12N2O3/c1-10-8(12)6-7(9(10)13)11-2-4-14-5-3-11/h6H,2-5H2,1H3
InChIKeyDCXJAUSLTAJXSF-UHFFFAOYSA-N
XLogP-0.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.80
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

1-[2-(Morpholin-4-yl)ethyl]-1H-pyrrole-2,5-dione
CID 13128484
3-Morpholin-4-ylpyrrole-2,5-dione
CID 17887767
1-Methyl-5-morpholin-4-yl-2,3-dihydropyridin-6-one
CID 21137416
2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
CID 22118185
2-Morpholin-4-ylbut-2-enamide
CID 54468692
3-bromo-1-methyl-4-morpholino-1H-pyrrole-2,5-dione
CID 59354746
(E)-2-isocyano-1-morpholin-4-ylbut-2-en-1-one
CID 59812210
1-(1-Morpholin-4-yl-1-oxopropan-2-yl)pyrrole-2,5-dione
CID 104408096
2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one
CID 118690658
N,N-dimethyl-2-morpholin-4-ylpent-2-enamide
CID 123633625
1-Ethyl-3-morpholin-4-ylpyridin-2-one
CID 150124309
3-[3-(Deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione
CID 162720824

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-morpholin-4-ylpyrrole-2,5-dione (CID 5302612) is 1-methyl-3-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-morpholin-4-ylpyrrole-2,5-dione is CN1C(=O)C=C(N2CCOCC2)C1=O.
What is the InChIKey of 1-methyl-3-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is DCXJAUSLTAJXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-10-8(12)6-7(9(10)13)11-2-4-14-5-3-11/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-3-morpholin-4-ylpyrrole-2,5-dione?
1-methyl-3-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 196.21 g/mol, XLogP of -0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 5302612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).