1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one

C14H23NO — CID 164990675

IUPAC1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one
SMILESCc1c(C(C)C)c(C)n(C)c(=O)c1C(C)C
InChIInChI=1S/C14H23NO/c1-8(2)12-10(5)13(9(3)4)14(16)15(7)11(12)6/h8-9H,1-7H3
InChIKeyCEOOGHWORGTYEX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.25
Rot. Bonds2

About 1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one

1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one (PubChem CID 164990675) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one
PubChem CID164990675
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one
SMILESCc1c(C(C)C)c(C)n(C)c(=O)c1C(C)C
InChIInChI=1S/C14H23NO/c1-8(2)12-10(5)13(9(3)4)14(16)15(7)11(12)6/h8-9H,1-7H3
InChIKeyCEOOGHWORGTYEX-UHFFFAOYSA-N
XLogP3.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one?
The IUPAC name of 1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one (CID 164990675) is 1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one.
What is the SMILES notation for 1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one?
The canonical SMILES for 1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one is Cc1c(C(C)C)c(C)n(C)c(=O)c1C(C)C.
What is the InChIKey of 1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one?
The InChIKey is CEOOGHWORGTYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-8(2)12-10(5)13(9(3)4)14(16)15(7)11(12)6/h8-9H,1-7H3.
What are the key properties of 1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one?
1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-3,5-di(propan-2-yl)pyridin-2-one is sourced from PubChem (CID 164990675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).