1-[(E)-but-2-enyl]piperidin-4-one

C9H15NO — CID 24690291

IUPAC1-[(E)-but-2-enyl]piperidin-4-one
SMILESC/C=C/CN1CCC(=O)CC1
InChIInChI=1S/C9H15NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2-3H,4-8H2,1H3/b3-2+
InChIKeyKJXNWMXULHWKMU-NSCUHMNNSA-N
MW153.22 g/mol
LogP1.23
Rot. Bonds2

About 1-[(E)-but-2-enyl]piperidin-4-one

1-[(E)-but-2-enyl]piperidin-4-one (PubChem CID 24690291) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]piperidin-4-one
PubChem CID24690291
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[(E)-but-2-enyl]piperidin-4-one
SMILESC/C=C/CN1CCC(=O)CC1
InChIInChI=1S/C9H15NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2-3H,4-8H2,1H3/b3-2+
InChIKeyKJXNWMXULHWKMU-NSCUHMNNSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.23
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-[(E)-but-2-enyl]piperidin-4-one?
The IUPAC name of 1-[(E)-but-2-enyl]piperidin-4-one (CID 24690291) is 1-[(E)-but-2-enyl]piperidin-4-one.
What is the SMILES notation for 1-[(E)-but-2-enyl]piperidin-4-one?
The canonical SMILES for 1-[(E)-but-2-enyl]piperidin-4-one is C/C=C/CN1CCC(=O)CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]piperidin-4-one?
The InChIKey is KJXNWMXULHWKMU-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2-3H,4-8H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]piperidin-4-one?
1-[(E)-but-2-enyl]piperidin-4-one has a molecular weight of 153.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]piperidin-4-one is sourced from PubChem (CID 24690291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).