3-prop-2-enylpiperidin-4-one

C8H13NO — CID 11815441

IUPAC3-prop-2-enylpiperidin-4-one
SMILESC=CCC1CNCCC1=O
InChIInChI=1S/C8H13NO/c1-2-3-7-6-9-5-4-8(7)10/h2,7,9H,1,3-6H2
InChIKeyDXANYQMPMWSQQQ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.74
Rot. Bonds2

About 3-prop-2-enylpiperidin-4-one

3-prop-2-enylpiperidin-4-one (PubChem CID 11815441) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-prop-2-enylpiperidin-4-one.

Molecular Properties

Compound Name3-prop-2-enylpiperidin-4-one
PubChem CID11815441
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-prop-2-enylpiperidin-4-one
SMILESC=CCC1CNCCC1=O
InChIInChI=1S/C8H13NO/c1-2-3-7-6-9-5-4-8(7)10/h2,7,9H,1,3-6H2
InChIKeyDXANYQMPMWSQQQ-UHFFFAOYSA-N
XLogP0.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
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 3-prop-2-enylpiperidin-4-one?
The IUPAC name of 3-prop-2-enylpiperidin-4-one (CID 11815441) is 3-prop-2-enylpiperidin-4-one.
What is the SMILES notation for 3-prop-2-enylpiperidin-4-one?
The canonical SMILES for 3-prop-2-enylpiperidin-4-one is C=CCC1CNCCC1=O.
What is the InChIKey of 3-prop-2-enylpiperidin-4-one?
The InChIKey is DXANYQMPMWSQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-7-6-9-5-4-8(7)10/h2,7,9H,1,3-6H2.
What are the key properties of 3-prop-2-enylpiperidin-4-one?
3-prop-2-enylpiperidin-4-one has a molecular weight of 139.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylpiperidin-4-one is sourced from PubChem (CID 11815441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).