1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one

C9H16NO+ — CID 6984949

IUPAC1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one
SMILESCC1=CC(=O)C(C)(C)[NH+](C)C1
InChIInChI=1S/C9H15NO/c1-7-5-8(11)9(2,3)10(4)6-7/h5H,6H2,1-4H3/p+1
InChIKeyJSZLHYXQMHUWHR-UHFFFAOYSA-O
MW154.23 g/mol
LogP-0.19
Rot. Bonds

About 1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one

1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one (PubChem CID 6984949) has the molecular formula C9H16NO+ and a molecular weight of 154.23 g/mol. Its IUPAC name is 1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one.

Molecular Properties

Compound Name1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one
PubChem CID6984949
Molecular FormulaC9H16NO+
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one
SMILESCC1=CC(=O)C(C)(C)[NH+](C)C1
InChIInChI=1S/C9H15NO/c1-7-5-8(11)9(2,3)10(4)6-7/h5H,6H2,1-4H3/p+1
InChIKeyJSZLHYXQMHUWHR-UHFFFAOYSA-O
XLogP-0.19
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one?
The IUPAC name of 1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one (CID 6984949) is 1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one.
What is the SMILES notation for 1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one?
The canonical SMILES for 1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one is CC1=CC(=O)C(C)(C)[NH+](C)C1.
What is the InChIKey of 1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one?
The InChIKey is JSZLHYXQMHUWHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15NO/c1-7-5-8(11)9(2,3)10(4)6-7/h5H,6H2,1-4H3/p+1.
What are the key properties of 1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one?
1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one has a molecular weight of 154.23 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one is sourced from PubChem (CID 6984949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).