1-(2-but-2-enoxyacetyl)piperidin-4-one

C11H17NO3 — CID 76938183

IUPAC1-(2-but-2-enoxyacetyl)piperidin-4-one
SMILESCC=CCOCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H17NO3/c1-2-3-8-15-9-11(14)12-6-4-10(13)5-7-12/h2-3H,4-9H2,1H3
InChIKeyBNODATSKRKQGAU-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.77
Rot. Bonds4

About 1-(2-but-2-enoxyacetyl)piperidin-4-one

1-(2-but-2-enoxyacetyl)piperidin-4-one (PubChem CID 76938183) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2-but-2-enoxyacetyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-but-2-enoxyacetyl)piperidin-4-one
PubChem CID76938183
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(2-but-2-enoxyacetyl)piperidin-4-one
SMILESCC=CCOCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H17NO3/c1-2-3-8-15-9-11(14)12-6-4-10(13)5-7-12/h2-3H,4-9H2,1H3
InChIKeyBNODATSKRKQGAU-UHFFFAOYSA-N
XLogP0.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
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 1-(2-but-2-enoxyacetyl)piperidin-4-one?
The IUPAC name of 1-(2-but-2-enoxyacetyl)piperidin-4-one (CID 76938183) is 1-(2-but-2-enoxyacetyl)piperidin-4-one.
What is the SMILES notation for 1-(2-but-2-enoxyacetyl)piperidin-4-one?
The canonical SMILES for 1-(2-but-2-enoxyacetyl)piperidin-4-one is CC=CCOCC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-(2-but-2-enoxyacetyl)piperidin-4-one?
The InChIKey is BNODATSKRKQGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-3-8-15-9-11(14)12-6-4-10(13)5-7-12/h2-3H,4-9H2,1H3.
What are the key properties of 1-(2-but-2-enoxyacetyl)piperidin-4-one?
1-(2-but-2-enoxyacetyl)piperidin-4-one has a molecular weight of 211.26 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-2-enoxyacetyl)piperidin-4-one is sourced from PubChem (CID 76938183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).