1,3-dimethyl-2-methylidenepiperidin-4-one

C8H13NO — CID 91447516

IUPAC1,3-dimethyl-2-methylidenepiperidin-4-one
SMILESC=C1C(C)C(=O)CCN1C
InChIInChI=1S/C8H13NO/c1-6-7(2)9(3)5-4-8(6)10/h6H,2,4-5H2,1,3H3
InChIKeyLFLWVBNYRCQLTH-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.04
Rot. Bonds

About 1,3-dimethyl-2-methylidenepiperidin-4-one

1,3-dimethyl-2-methylidenepiperidin-4-one (PubChem CID 91447516) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,3-dimethyl-2-methylidenepiperidin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-2-methylidenepiperidin-4-one
PubChem CID91447516
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1,3-dimethyl-2-methylidenepiperidin-4-one
SMILESC=C1C(C)C(=O)CCN1C
InChIInChI=1S/C8H13NO/c1-6-7(2)9(3)5-4-8(6)10/h6H,2,4-5H2,1,3H3
InChIKeyLFLWVBNYRCQLTH-UHFFFAOYSA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-methylidenepiperidin-4-one?
The IUPAC name of 1,3-dimethyl-2-methylidenepiperidin-4-one (CID 91447516) is 1,3-dimethyl-2-methylidenepiperidin-4-one.
What is the SMILES notation for 1,3-dimethyl-2-methylidenepiperidin-4-one?
The canonical SMILES for 1,3-dimethyl-2-methylidenepiperidin-4-one is C=C1C(C)C(=O)CCN1C.
What is the InChIKey of 1,3-dimethyl-2-methylidenepiperidin-4-one?
The InChIKey is LFLWVBNYRCQLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-7(2)9(3)5-4-8(6)10/h6H,2,4-5H2,1,3H3.
What are the key properties of 1,3-dimethyl-2-methylidenepiperidin-4-one?
1,3-dimethyl-2-methylidenepiperidin-4-one has a molecular weight of 139.20 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-methylidenepiperidin-4-one is sourced from PubChem (CID 91447516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).