3-(2-methylprop-2-enyl)piperidin-4-one

C9H15NO — CID 114451620

IUPAC3-(2-methylprop-2-enyl)piperidin-4-one
SMILESC=C(C)CC1CNCCC1=O
InChIInChI=1S/C9H15NO/c1-7(2)5-8-6-10-4-3-9(8)11/h8,10H,1,3-6H2,2H3
InChIKeyCHYWKQVANOJMEF-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.13
Rot. Bonds2

About 3-(2-methylprop-2-enyl)piperidin-4-one

3-(2-methylprop-2-enyl)piperidin-4-one (PubChem CID 114451620) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)piperidin-4-one.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)piperidin-4-one
PubChem CID114451620
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-(2-methylprop-2-enyl)piperidin-4-one
SMILESC=C(C)CC1CNCCC1=O
InChIInChI=1S/C9H15NO/c1-7(2)5-8-6-10-4-3-9(8)11/h8,10H,1,3-6H2,2H3
InChIKeyCHYWKQVANOJMEF-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.13
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-(2-methylprop-2-enyl)piperidin-4-one?
The IUPAC name of 3-(2-methylprop-2-enyl)piperidin-4-one (CID 114451620) is 3-(2-methylprop-2-enyl)piperidin-4-one.
What is the SMILES notation for 3-(2-methylprop-2-enyl)piperidin-4-one?
The canonical SMILES for 3-(2-methylprop-2-enyl)piperidin-4-one is C=C(C)CC1CNCCC1=O.
What is the InChIKey of 3-(2-methylprop-2-enyl)piperidin-4-one?
The InChIKey is CHYWKQVANOJMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)5-8-6-10-4-3-9(8)11/h8,10H,1,3-6H2,2H3.
What are the key properties of 3-(2-methylprop-2-enyl)piperidin-4-one?
3-(2-methylprop-2-enyl)piperidin-4-one has a molecular weight of 153.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enyl)piperidin-4-one is sourced from PubChem (CID 114451620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).