3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione

C15H26N2O3 — CID 114466994

IUPAC3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESC=C(C)COCCNC1CC(=O)N(C(CC)CC)C1=O
InChIInChI=1S/C15H26N2O3/c1-5-12(6-2)17-14(18)9-13(15(17)19)16-7-8-20-10-11(3)4/h12-13,16H,3,5-10H2,1-2,4H3
InChIKeyGXGIHMHLGTUTMO-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds9

About 3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione

3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione (PubChem CID 114466994) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
PubChem CID114466994
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESC=C(C)COCCNC1CC(=O)N(C(CC)CC)C1=O
InChIInChI=1S/C15H26N2O3/c1-5-12(6-2)17-14(18)9-13(15(17)19)16-7-8-20-10-11(3)4/h12-13,16H,3,5-10H2,1-2,4H3
InChIKeyGXGIHMHLGTUTMO-UHFFFAOYSA-N
XLogP1.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione (CID 114466994) is 3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione is C=C(C)COCCNC1CC(=O)N(C(CC)CC)C1=O.
What is the InChIKey of 3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione?
The InChIKey is GXGIHMHLGTUTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-12(6-2)17-14(18)9-13(15(17)19)16-7-8-20-10-11(3)4/h12-13,16H,3,5-10H2,1-2,4H3.
What are the key properties of 3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione?
3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 114466994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).