1-methyl-4-prop-2-enylpiperidin-3-one

C9H15NO — CID 23524295

IUPAC1-methyl-4-prop-2-enylpiperidin-3-one
SMILESC=CCC1CCN(C)CC1=O
InChIInChI=1S/C9H15NO/c1-3-4-8-5-6-10(2)7-9(8)11/h3,8H,1,4-7H2,2H3
InChIKeyNLHAADXNYOGZQM-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.08
Rot. Bonds2

About 1-methyl-4-prop-2-enylpiperidin-3-one

1-methyl-4-prop-2-enylpiperidin-3-one (PubChem CID 23524295) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-methyl-4-prop-2-enylpiperidin-3-one.

Molecular Properties

Compound Name1-methyl-4-prop-2-enylpiperidin-3-one
PubChem CID23524295
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-methyl-4-prop-2-enylpiperidin-3-one
SMILESC=CCC1CCN(C)CC1=O
InChIInChI=1S/C9H15NO/c1-3-4-8-5-6-10(2)7-9(8)11/h3,8H,1,4-7H2,2H3
InChIKeyNLHAADXNYOGZQM-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
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 1-methyl-4-prop-2-enylpiperidin-3-one?
The IUPAC name of 1-methyl-4-prop-2-enylpiperidin-3-one (CID 23524295) is 1-methyl-4-prop-2-enylpiperidin-3-one.
What is the SMILES notation for 1-methyl-4-prop-2-enylpiperidin-3-one?
The canonical SMILES for 1-methyl-4-prop-2-enylpiperidin-3-one is C=CCC1CCN(C)CC1=O.
What is the InChIKey of 1-methyl-4-prop-2-enylpiperidin-3-one?
The InChIKey is NLHAADXNYOGZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-8-5-6-10(2)7-9(8)11/h3,8H,1,4-7H2,2H3.
What are the key properties of 1-methyl-4-prop-2-enylpiperidin-3-one?
1-methyl-4-prop-2-enylpiperidin-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-2-enylpiperidin-3-one is sourced from PubChem (CID 23524295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).