2-methyl-1-piperidin-1-ylprop-2-en-1-one

C9H15NO — CID 3070236

IUPAC2-methyl-1-piperidin-1-ylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCCC1
InChIInChI=1S/C9H15NO/c1-8(2)9(11)10-6-4-3-5-7-10/h1,3-7H2,2H3
InChIKeyRASDUGQQSMMINZ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds1

About 2-methyl-1-piperidin-1-ylprop-2-en-1-one

2-methyl-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 3070236) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-piperidin-1-ylprop-2-en-1-one
PubChem CID3070236
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-1-piperidin-1-ylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCCC1
InChIInChI=1S/C9H15NO/c1-8(2)9(11)10-6-4-3-5-7-10/h1,3-7H2,2H3
InChIKeyRASDUGQQSMMINZ-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of 2-methyl-1-piperidin-1-ylprop-2-en-1-one (CID 3070236) is 2-methyl-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for 2-methyl-1-piperidin-1-ylprop-2-en-1-one is C=C(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is RASDUGQQSMMINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(2)9(11)10-6-4-3-5-7-10/h1,3-7H2,2H3.
What are the key properties of 2-methyl-1-piperidin-1-ylprop-2-en-1-one?
2-methyl-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 3070236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).