3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one

C16H27NO — CID 170037450

IUPAC3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one
SMILESCc1c(C(C)C)c(C(C)C)n(C(C)C)c(=O)c1C
InChIInChI=1S/C16H27NO/c1-9(2)14-12(7)13(8)16(18)17(11(5)6)15(14)10(3)4/h9-11H,1-8H3
InChIKeyUAYYJVTVXQEULA-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.29
Rot. Bonds3

About 3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one

3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one (PubChem CID 170037450) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one
PubChem CID170037450
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one
SMILESCc1c(C(C)C)c(C(C)C)n(C(C)C)c(=O)c1C
InChIInChI=1S/C16H27NO/c1-9(2)14-12(7)13(8)16(18)17(11(5)6)15(14)10(3)4/h9-11H,1-8H3
InChIKeyUAYYJVTVXQEULA-UHFFFAOYSA-N
XLogP4.29
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one?
The IUPAC name of 3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one (CID 170037450) is 3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one.
What is the SMILES notation for 3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one?
The canonical SMILES for 3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one is Cc1c(C(C)C)c(C(C)C)n(C(C)C)c(=O)c1C.
What is the InChIKey of 3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one?
The InChIKey is UAYYJVTVXQEULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-9(2)14-12(7)13(8)16(18)17(11(5)6)15(14)10(3)4/h9-11H,1-8H3.
What are the key properties of 3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one?
3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one has a molecular weight of 249.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one is sourced from PubChem (CID 170037450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).