1-methyl-3-prop-2-enylpiperidin-2-one

C9H15NO — CID 15013936

IUPAC1-methyl-3-prop-2-enylpiperidin-2-one
SMILESC=CCC1CCCN(C)C1=O
InChIInChI=1S/C9H15NO/c1-3-5-8-6-4-7-10(2)9(8)11/h3,8H,1,4-7H2,2H3
InChIKeyVFBAQIXFWVZXQY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.43
Rot. Bonds2

About 1-methyl-3-prop-2-enylpiperidin-2-one

1-methyl-3-prop-2-enylpiperidin-2-one (PubChem CID 15013936) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-methyl-3-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name1-methyl-3-prop-2-enylpiperidin-2-one
PubChem CID15013936
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-methyl-3-prop-2-enylpiperidin-2-one
SMILESC=CCC1CCCN(C)C1=O
InChIInChI=1S/C9H15NO/c1-3-5-8-6-4-7-10(2)9(8)11/h3,8H,1,4-7H2,2H3
InChIKeyVFBAQIXFWVZXQY-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
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 1-methyl-3-prop-2-enylpiperidin-2-one?
The IUPAC name of 1-methyl-3-prop-2-enylpiperidin-2-one (CID 15013936) is 1-methyl-3-prop-2-enylpiperidin-2-one.
What is the SMILES notation for 1-methyl-3-prop-2-enylpiperidin-2-one?
The canonical SMILES for 1-methyl-3-prop-2-enylpiperidin-2-one is C=CCC1CCCN(C)C1=O.
What is the InChIKey of 1-methyl-3-prop-2-enylpiperidin-2-one?
The InChIKey is VFBAQIXFWVZXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-8-6-4-7-10(2)9(8)11/h3,8H,1,4-7H2,2H3.
What are the key properties of 1-methyl-3-prop-2-enylpiperidin-2-one?
1-methyl-3-prop-2-enylpiperidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 15013936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).