4-acetyl-6-methylidenepiperidin-2-one

C8H11NO2 — CID 89357523

IUPAC4-acetyl-6-methylidenepiperidin-2-one
SMILESC=C1CC(C(C)=O)CC(=O)N1
InChIInChI=1S/C8H11NO2/c1-5-3-7(6(2)10)4-8(11)9-5/h7H,1,3-4H2,2H3,(H,9,11)
InChIKeyOWMUQYBNUSYMHE-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.62
Rot. Bonds1

About 4-acetyl-6-methylidenepiperidin-2-one

4-acetyl-6-methylidenepiperidin-2-one (PubChem CID 89357523) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-acetyl-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name4-acetyl-6-methylidenepiperidin-2-one
PubChem CID89357523
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-acetyl-6-methylidenepiperidin-2-one
SMILESC=C1CC(C(C)=O)CC(=O)N1
InChIInChI=1S/C8H11NO2/c1-5-3-7(6(2)10)4-8(11)9-5/h7H,1,3-4H2,2H3,(H,9,11)
InChIKeyOWMUQYBNUSYMHE-UHFFFAOYSA-N
XLogP0.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-methylidenepiperidin-2-one?
The IUPAC name of 4-acetyl-6-methylidenepiperidin-2-one (CID 89357523) is 4-acetyl-6-methylidenepiperidin-2-one.
What is the SMILES notation for 4-acetyl-6-methylidenepiperidin-2-one?
The canonical SMILES for 4-acetyl-6-methylidenepiperidin-2-one is C=C1CC(C(C)=O)CC(=O)N1.
What is the InChIKey of 4-acetyl-6-methylidenepiperidin-2-one?
The InChIKey is OWMUQYBNUSYMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-3-7(6(2)10)4-8(11)9-5/h7H,1,3-4H2,2H3,(H,9,11).
What are the key properties of 4-acetyl-6-methylidenepiperidin-2-one?
4-acetyl-6-methylidenepiperidin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-methylidenepiperidin-2-one is sourced from PubChem (CID 89357523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).