3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione

C9H12N2O3Se — CID 162720824

IUPAC3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione
SMILES[2H]C[Se]C1COCCN1C1=CC(=O)NC1=O
InChIInChI=1S/C9H12N2O3Se/c1-15-8-5-14-3-2-11(8)6-4-7(12)10-9(6)13/h4,8H,2-3,5H2,1H3,(H,10,12,13)/i1D
InChIKeyUUEAUFYZMSXMJI-MICDWDOJSA-N
MW276.17 g/mol
LogP-1.06
Rot. Bonds3

About 3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione

3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione (PubChem CID 162720824) has the molecular formula C9H12N2O3Se and a molecular weight of 276.17 g/mol. Its IUPAC name is 3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione
PubChem CID162720824
Molecular FormulaC9H12N2O3Se
Molecular Weight276.17 g/mol
Exact Mass277.01
IUPAC Name3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione
SMILES[2H]C[Se]C1COCCN1C1=CC(=O)NC1=O
InChIInChI=1S/C9H12N2O3Se/c1-15-8-5-14-3-2-11(8)6-4-7(12)10-9(6)13/h4,8H,2-3,5H2,1H3,(H,10,12,13)/i1D
InChIKeyUUEAUFYZMSXMJI-MICDWDOJSA-N
XLogP-1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-Pyrrole-2,5-dione, 1-methyl-3-(4-morpholinyl)-
CID 5302612
1-(2-Methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione
CID 43842652
3-Morpholin-4-ylpyrrole-2,5-dione
CID 17887767
2-Morpholin-4-ylbut-2-enamide
CID 54468692
2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide
CID 58331311
3-Morpholin-4-yl-1,2-dihydropyrrol-5-one
CID 145823941
3-(3-Methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one
CID 150034002
3-[3-(Deuteriomethylsulfanyl)morpholin-4-yl]pyrrole-2,5-dione
CID 162720822
3-(2-Methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione
CID 175208320
3-(2-Methylselanylmorpholin-4-yl)pyrrole-2,5-dione
CID 175213617
2-[(2-Morpholin-4-ylacetyl)amino]but-2-enamide
CID 176272202
3-[(Tert-butyl)amino]-1-(2-methoxyethyl)azoline-2,5-dione
CID 43842649

Frequently Asked Questions

What is the IUPAC name of 3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione?
The IUPAC name of 3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione (CID 162720824) is 3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione is [2H]C[Se]C1COCCN1C1=CC(=O)NC1=O.
What is the InChIKey of 3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione?
The InChIKey is UUEAUFYZMSXMJI-MICDWDOJSA-N. The full InChI is InChI=1S/C9H12N2O3Se/c1-15-8-5-14-3-2-11(8)6-4-7(12)10-9(6)13/h4,8H,2-3,5H2,1H3,(H,10,12,13)/i1D.
What are the key properties of 3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione?
3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione has a molecular weight of 276.17 g/mol, XLogP of -1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione is sourced from PubChem (CID 162720824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).