3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one

C11H20N2O2 — CID 103852843

IUPAC3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one
SMILESC=CCCOCCNC1CCN(C)C1=O
InChIInChI=1S/C11H20N2O2/c1-3-4-8-15-9-6-12-10-5-7-13(2)11(10)14/h3,10,12H,1,4-9H2,2H3
InChIKeyDNXBKRMIAYIJDY-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.40
Rot. Bonds7

About 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one

3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one (PubChem CID 103852843) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one
PubChem CID103852843
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one
SMILESC=CCCOCCNC1CCN(C)C1=O
InChIInChI=1S/C11H20N2O2/c1-3-4-8-15-9-6-12-10-5-7-13(2)11(10)14/h3,10,12H,1,4-9H2,2H3
InChIKeyDNXBKRMIAYIJDY-UHFFFAOYSA-N
XLogP0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one (CID 103852843) is 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one is C=CCCOCCNC1CCN(C)C1=O.
What is the InChIKey of 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one?
The InChIKey is DNXBKRMIAYIJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-4-8-15-9-6-12-10-5-7-13(2)11(10)14/h3,10,12H,1,4-9H2,2H3.
What are the key properties of 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one?
3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 103852843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).