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

C12H20N2O3 — CID 106397852

IUPAC3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione
SMILESC=CCCOCCNC1CC(=O)N(CC)C1=O
InChIInChI=1S/C12H20N2O3/c1-3-5-7-17-8-6-13-10-9-11(15)14(4-2)12(10)16/h3,10,13H,1,4-9H2,2H3
InChIKeyAKALFNIBEMFYJH-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.32
Rot. Bonds8

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

3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione (PubChem CID 106397852) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione
PubChem CID106397852
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione
SMILESC=CCCOCCNC1CC(=O)N(CC)C1=O
InChIInChI=1S/C12H20N2O3/c1-3-5-7-17-8-6-13-10-9-11(15)14(4-2)12(10)16/h3,10,13H,1,4-9H2,2H3
InChIKeyAKALFNIBEMFYJH-UHFFFAOYSA-N
XLogP0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.32
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-methylpyrrolidine-2,5-dione
CID 106397843
3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione
CID 61171064
3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one
CID 103852843
3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione
CID 114097733
1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
CID 106188044
1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
CID 43636114
3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione
CID 61168805
1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 43636432
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83211649
N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide
CID 61015280
6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid
CID 65289759
3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 114466994

Frequently Asked Questions

What is the IUPAC name of 3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione (CID 106397852) is 3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione is C=CCCOCCNC1CC(=O)N(CC)C1=O.
What is the InChIKey of 3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione?
The InChIKey is AKALFNIBEMFYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-5-7-17-8-6-13-10-9-11(15)14(4-2)12(10)16/h3,10,13H,1,4-9H2,2H3.
What are the key properties of 3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione?
3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.32, 8 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-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 106397852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).