2-prop-2-enylpiperidin-3-one

C8H13NO — CID 91188457

IUPAC2-prop-2-enylpiperidin-3-one
SMILESC=CCC1NCCCC1=O
InChIInChI=1S/C8H13NO/c1-2-4-7-8(10)5-3-6-9-7/h2,7,9H,1,3-6H2
InChIKeySGXYRFUJTQTZRI-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.88
Rot. Bonds2

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

2-prop-2-enylpiperidin-3-one (PubChem CID 91188457) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-prop-2-enylpiperidin-3-one.

Molecular Properties

Compound Name2-prop-2-enylpiperidin-3-one
PubChem CID91188457
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-prop-2-enylpiperidin-3-one
SMILESC=CCC1NCCCC1=O
InChIInChI=1S/C8H13NO/c1-2-4-7-8(10)5-3-6-9-7/h2,7,9H,1,3-6H2
InChIKeySGXYRFUJTQTZRI-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
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 2-prop-2-enylpiperidin-3-one?
The IUPAC name of 2-prop-2-enylpiperidin-3-one (CID 91188457) is 2-prop-2-enylpiperidin-3-one.
What is the SMILES notation for 2-prop-2-enylpiperidin-3-one?
The canonical SMILES for 2-prop-2-enylpiperidin-3-one is C=CCC1NCCCC1=O.
What is the InChIKey of 2-prop-2-enylpiperidin-3-one?
The InChIKey is SGXYRFUJTQTZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-4-7-8(10)5-3-6-9-7/h2,7,9H,1,3-6H2.
What are the key properties of 2-prop-2-enylpiperidin-3-one?
2-prop-2-enylpiperidin-3-one has a molecular weight of 139.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylpiperidin-3-one is sourced from PubChem (CID 91188457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).