3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione

C11H18N2O3 — CID 106397843

IUPAC3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione
SMILESC=CCCOCCNC1CC(=O)N(C)C1=O
InChIInChI=1S/C11H18N2O3/c1-3-4-6-16-7-5-12-9-8-10(14)13(2)11(9)15/h3,9,12H,1,4-8H2,2H3
InChIKeyLGMAUUHAHILELU-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.07
Rot. Bonds7

About 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione

3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione (PubChem CID 106397843) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione
PubChem CID106397843
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione
SMILESC=CCCOCCNC1CC(=O)N(C)C1=O
InChIInChI=1S/C11H18N2O3/c1-3-4-6-16-7-5-12-9-8-10(14)13(2)11(9)15/h3,9,12H,1,4-8H2,2H3
InChIKeyLGMAUUHAHILELU-UHFFFAOYSA-N
XLogP-0.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione
CID 106397852
3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one
CID 103852843
1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione
CID 82942268
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione
CID 112589216
1-methyl-3-(2-methylidenebutylamino)pyrrolidine-2,5-dione
CID 66046673
3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione
CID 107703458
1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione
CID 63967065
3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione
CID 61171064
1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone
CID 103854368
3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 106173594
3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione
CID 61326141
1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione
CID 166289563

Frequently Asked Questions

What is the IUPAC name of 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione (CID 106397843) is 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione is C=CCCOCCNC1CC(=O)N(C)C1=O.
What is the InChIKey of 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is LGMAUUHAHILELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-4-6-16-7-5-12-9-8-10(14)13(2)11(9)15/h3,9,12H,1,4-8H2,2H3.
What are the key properties of 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione?
3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 226.28 g/mol, XLogP of -0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 106397843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).