1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone

C11H19NO — CID 63846848

IUPAC1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone
SMILESC/C=C/CN1CCCC(C(C)=O)C1
InChIInChI=1S/C11H19NO/c1-3-4-7-12-8-5-6-11(9-12)10(2)13/h3-4,11H,5-9H2,1-2H3/b4-3+
InChIKeyRESXJBVSBDWZAJ-ONEGZZNKSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds3

About 1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone

1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone (PubChem CID 63846848) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone
PubChem CID63846848
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone
SMILESC/C=C/CN1CCCC(C(C)=O)C1
InChIInChI=1S/C11H19NO/c1-3-4-7-12-8-5-6-11(9-12)10(2)13/h3-4,11H,5-9H2,1-2H3/b4-3+
InChIKeyRESXJBVSBDWZAJ-ONEGZZNKSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone (CID 63846848) is 1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone is C/C=C/CN1CCCC(C(C)=O)C1.
What is the InChIKey of 1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone?
The InChIKey is RESXJBVSBDWZAJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-7-12-8-5-6-11(9-12)10(2)13/h3-4,11H,5-9H2,1-2H3/b4-3+.
What are the key properties of 1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone?
1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-but-2-enyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 63846848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).