1-methyl-5,6-di(propan-2-yl)pyridin-2-one

C12H19NO — CID 20701239

IUPAC1-methyl-5,6-di(propan-2-yl)pyridin-2-one
SMILESCC(C)c1ccc(=O)n(C)c1C(C)C
InChIInChI=1S/C12H19NO/c1-8(2)10-6-7-11(14)13(5)12(10)9(3)4/h6-9H,1-5H3
InChIKeyBBZRQWQDSBQFNV-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.63
Rot. Bonds2

About 1-methyl-5,6-di(propan-2-yl)pyridin-2-one

1-methyl-5,6-di(propan-2-yl)pyridin-2-one (PubChem CID 20701239) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methyl-5,6-di(propan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5,6-di(propan-2-yl)pyridin-2-one
PubChem CID20701239
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-methyl-5,6-di(propan-2-yl)pyridin-2-one
SMILESCC(C)c1ccc(=O)n(C)c1C(C)C
InChIInChI=1S/C12H19NO/c1-8(2)10-6-7-11(14)13(5)12(10)9(3)4/h6-9H,1-5H3
InChIKeyBBZRQWQDSBQFNV-UHFFFAOYSA-N
XLogP2.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-di(propan-2-yl)pyridin-2-one?
The IUPAC name of 1-methyl-5,6-di(propan-2-yl)pyridin-2-one (CID 20701239) is 1-methyl-5,6-di(propan-2-yl)pyridin-2-one.
What is the SMILES notation for 1-methyl-5,6-di(propan-2-yl)pyridin-2-one?
The canonical SMILES for 1-methyl-5,6-di(propan-2-yl)pyridin-2-one is CC(C)c1ccc(=O)n(C)c1C(C)C.
What is the InChIKey of 1-methyl-5,6-di(propan-2-yl)pyridin-2-one?
The InChIKey is BBZRQWQDSBQFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)10-6-7-11(14)13(5)12(10)9(3)4/h6-9H,1-5H3.
What are the key properties of 1-methyl-5,6-di(propan-2-yl)pyridin-2-one?
1-methyl-5,6-di(propan-2-yl)pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-di(propan-2-yl)pyridin-2-one is sourced from PubChem (CID 20701239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).