3-(dimethylamino)-2-methylidenepiperidin-4-one

C8H14N2O — CID 174535335

IUPAC3-(dimethylamino)-2-methylidenepiperidin-4-one
SMILESC=C1NCCC(=O)C1N(C)C
InChIInChI=1S/C8H14N2O/c1-6-8(10(2)3)7(11)4-5-9-6/h8-9H,1,4-5H2,2-3H3
InChIKeyUSMFCZUEBCNCNI-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.01
Rot. Bonds1

About 3-(dimethylamino)-2-methylidenepiperidin-4-one

3-(dimethylamino)-2-methylidenepiperidin-4-one (PubChem CID 174535335) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methylidenepiperidin-4-one.

Molecular Properties

Compound Name3-(dimethylamino)-2-methylidenepiperidin-4-one
PubChem CID174535335
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-(dimethylamino)-2-methylidenepiperidin-4-one
SMILESC=C1NCCC(=O)C1N(C)C
InChIInChI=1S/C8H14N2O/c1-6-8(10(2)3)7(11)4-5-9-6/h8-9H,1,4-5H2,2-3H3
InChIKeyUSMFCZUEBCNCNI-UHFFFAOYSA-N
XLogP-0.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methylidenepiperidin-4-one?
The IUPAC name of 3-(dimethylamino)-2-methylidenepiperidin-4-one (CID 174535335) is 3-(dimethylamino)-2-methylidenepiperidin-4-one.
What is the SMILES notation for 3-(dimethylamino)-2-methylidenepiperidin-4-one?
The canonical SMILES for 3-(dimethylamino)-2-methylidenepiperidin-4-one is C=C1NCCC(=O)C1N(C)C.
What is the InChIKey of 3-(dimethylamino)-2-methylidenepiperidin-4-one?
The InChIKey is USMFCZUEBCNCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-8(10(2)3)7(11)4-5-9-6/h8-9H,1,4-5H2,2-3H3.
What are the key properties of 3-(dimethylamino)-2-methylidenepiperidin-4-one?
3-(dimethylamino)-2-methylidenepiperidin-4-one has a molecular weight of 154.21 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methylidenepiperidin-4-one is sourced from PubChem (CID 174535335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).