1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione

C12H20N2O3 — CID 2948350

IUPAC1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCCCCN1C(=O)CC(N2CCOCC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-2-3-4-14-11(15)9-10(12(14)16)13-5-7-17-8-6-13/h10H,2-9H2,1H3
InChIKeyYWENETATHBSFCQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.25
Rot. Bonds4

About 1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione

1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione (PubChem CID 2948350) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione
PubChem CID2948350
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCCCCN1C(=O)CC(N2CCOCC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-2-3-4-14-11(15)9-10(12(14)16)13-5-7-17-8-6-13/h10H,2-9H2,1H3
InChIKeyYWENETATHBSFCQ-UHFFFAOYSA-N
XLogP0.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.25
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

Morpholine, 4-((2-oxo-1-pyrrolidinyl)acetyl)-
CID 746914
3-Morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 646765
1-Ethyl-3-morpholinopyrrolidine-2,5-dione
CID 2942382
1-(2-Morpholino-2-oxoethyl)pyrrolidine-2,5-dione
CID 4346381
1-Cyclopentyl-3-(4-morpholinyl)-2,5-pyrrolidinedione
CID 6457912
2-[4-(2-Ethoxyethyl)-3-ethylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53596202
2-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53610261
2-[3-Ethyl-4-(2-methoxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53610274
1-(1-Morpholin-4-yl-1-oxopropan-2-yl)pyrrolidine-2,5-dione
CID 73357924
3-Morpholino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 91623574
1-(1-Morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione
CID 122178891
1-[3-Methoxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione
CID 137654361

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione (CID 2948350) is 1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione is CCCCN1C(=O)CC(N2CCOCC2)C1=O.
What is the InChIKey of 1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione?
The InChIKey is YWENETATHBSFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-3-4-14-11(15)9-10(12(14)16)13-5-7-17-8-6-13/h10H,2-9H2,1H3.
What are the key properties of 1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione?
1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-morpholin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2948350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).