4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one

C10H13NO — CID 20689742

IUPAC4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one
SMILESC=C=C1CCN(CC)C(=O)C1=C
InChIInChI=1S/C10H13NO/c1-4-9-6-7-11(5-2)10(12)8(9)3/h1,3,5-7H2,2H3
InChIKeyAJGZXWSNSASDIA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.51
Rot. Bonds1

About 4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one

4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one (PubChem CID 20689742) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one.

Molecular Properties

Compound Name4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one
PubChem CID20689742
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one
SMILESC=C=C1CCN(CC)C(=O)C1=C
InChIInChI=1S/C10H13NO/c1-4-9-6-7-11(5-2)10(12)8(9)3/h1,3,5-7H2,2H3
InChIKeyAJGZXWSNSASDIA-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.51
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 4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one?
The IUPAC name of 4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one (CID 20689742) is 4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one.
What is the SMILES notation for 4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one?
The canonical SMILES for 4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one is C=C=C1CCN(CC)C(=O)C1=C.
What is the InChIKey of 4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one?
The InChIKey is AJGZXWSNSASDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-9-6-7-11(5-2)10(12)8(9)3/h1,3,5-7H2,2H3.
What are the key properties of 4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one?
4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylidene-1-ethyl-3-methylidenepiperidin-2-one is sourced from PubChem (CID 20689742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).