5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one

C11H20N2O2 — CID 106401472

IUPAC5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one
SMILESC=CCCOCCNCC1CCC(=O)N1
InChIInChI=1S/C11H20N2O2/c1-2-3-7-15-8-6-12-9-10-4-5-11(14)13-10/h2,10,12H,1,3-9H2,(H,13,14)
InChIKeyIVVRWPVYXZAWLO-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.45
Rot. Bonds8

About 5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one

5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one (PubChem CID 106401472) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one
PubChem CID106401472
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one
SMILESC=CCCOCCNCC1CCC(=O)N1
InChIInChI=1S/C11H20N2O2/c1-2-3-7-15-8-6-12-9-10-4-5-11(14)13-10/h2,10,12H,1,3-9H2,(H,13,14)
InChIKeyIVVRWPVYXZAWLO-UHFFFAOYSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one
CID 106427567
5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one
CID 60727737
3-[(5-oxopyrrolidin-2-yl)methylamino]propanenitrile
CID 60727673
5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
CID 60726501
N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
CID 106401449
5-[(hexylamino)methyl]pyrrolidin-2-one
CID 60727785
5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one
CID 107529578
5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one
CID 104807003
2,2-dimethyl-4-[(5-oxopyrrolidin-2-yl)methylamino]butanenitrile
CID 65253327
5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one
CID 107529437
2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 107095209
2-(2-methoxyethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide
CID 79282461

Frequently Asked Questions

What is the IUPAC name of 5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one (CID 106401472) is 5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one is C=CCCOCCNCC1CCC(=O)N1.
What is the InChIKey of 5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one?
The InChIKey is IVVRWPVYXZAWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-7-15-8-6-12-9-10-4-5-11(14)13-10/h2,10,12H,1,3-9H2,(H,13,14).
What are the key properties of 5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one?
5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 106401472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).