3-methyl-5-prop-1-en-2-ylpiperidin-2-one

C9H15NO — CID 89476542

IUPAC3-methyl-5-prop-1-en-2-ylpiperidin-2-one
SMILESC=C(C)C1CNC(=O)C(C)C1
InChIInChI=1S/C9H15NO/c1-6(2)8-4-7(3)9(11)10-5-8/h7-8H,1,4-5H2,2-3H3,(H,10,11)
InChIKeyYHIVOHBVARUKDT-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.33
Rot. Bonds1

About 3-methyl-5-prop-1-en-2-ylpiperidin-2-one

3-methyl-5-prop-1-en-2-ylpiperidin-2-one (PubChem CID 89476542) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-methyl-5-prop-1-en-2-ylpiperidin-2-one.

Molecular Properties

Compound Name3-methyl-5-prop-1-en-2-ylpiperidin-2-one
PubChem CID89476542
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-methyl-5-prop-1-en-2-ylpiperidin-2-one
SMILESC=C(C)C1CNC(=O)C(C)C1
InChIInChI=1S/C9H15NO/c1-6(2)8-4-7(3)9(11)10-5-8/h7-8H,1,4-5H2,2-3H3,(H,10,11)
InChIKeyYHIVOHBVARUKDT-UHFFFAOYSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyl-5-prop-1-en-2-ylpiperidin-2-one?
The IUPAC name of 3-methyl-5-prop-1-en-2-ylpiperidin-2-one (CID 89476542) is 3-methyl-5-prop-1-en-2-ylpiperidin-2-one.
What is the SMILES notation for 3-methyl-5-prop-1-en-2-ylpiperidin-2-one?
The canonical SMILES for 3-methyl-5-prop-1-en-2-ylpiperidin-2-one is C=C(C)C1CNC(=O)C(C)C1.
What is the InChIKey of 3-methyl-5-prop-1-en-2-ylpiperidin-2-one?
The InChIKey is YHIVOHBVARUKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)8-4-7(3)9(11)10-5-8/h7-8H,1,4-5H2,2-3H3,(H,10,11).
What are the key properties of 3-methyl-5-prop-1-en-2-ylpiperidin-2-one?
3-methyl-5-prop-1-en-2-ylpiperidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-prop-1-en-2-ylpiperidin-2-one is sourced from PubChem (CID 89476542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).