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

C15H25NO — CID 118688831

IUPAC6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one
SMILESCc1cc(C(C)C)c(C(C)C)c(=O)n1C(C)C
InChIInChI=1S/C15H25NO/c1-9(2)13-8-12(7)16(11(5)6)15(17)14(13)10(3)4/h8-11H,1-7H3
InChIKeyCFECUOXRIHDWEP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.98
Rot. Bonds3

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

6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one (PubChem CID 118688831) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one
PubChem CID118688831
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one
SMILESCc1cc(C(C)C)c(C(C)C)c(=O)n1C(C)C
InChIInChI=1S/C15H25NO/c1-9(2)13-8-12(7)16(11(5)6)15(17)14(13)10(3)4/h8-11H,1-7H3
InChIKeyCFECUOXRIHDWEP-UHFFFAOYSA-N
XLogP3.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one?
The IUPAC name of 6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one (CID 118688831) is 6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one.
What is the SMILES notation for 6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one?
The canonical SMILES for 6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one is Cc1cc(C(C)C)c(C(C)C)c(=O)n1C(C)C.
What is the InChIKey of 6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one?
The InChIKey is CFECUOXRIHDWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-9(2)13-8-12(7)16(11(5)6)15(17)14(13)10(3)4/h8-11H,1-7H3.
What are the key properties of 6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one?
6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one has a molecular weight of 235.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3,4-tri(propan-2-yl)pyridin-2-one is sourced from PubChem (CID 118688831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).