3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one

C12H19NO — CID 58821082

IUPAC3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C(C)(C)C)c(C)c1C
InChIInChI=1S/C12H19NO/c1-7-8(2)10(12(4,5)6)11(14)13-9(7)3/h1-6H3,(H,13,14)
InChIKeyLRDWZNDEISGRIE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.60
Rot. Bonds

About 3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one

3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one (PubChem CID 58821082) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one
PubChem CID58821082
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C(C)(C)C)c(C)c1C
InChIInChI=1S/C12H19NO/c1-7-8(2)10(12(4,5)6)11(14)13-9(7)3/h1-6H3,(H,13,14)
InChIKeyLRDWZNDEISGRIE-UHFFFAOYSA-N
XLogP2.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one?
The IUPAC name of 3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one (CID 58821082) is 3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(C(C)(C)C)c(C)c1C.
What is the InChIKey of 3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one?
The InChIKey is LRDWZNDEISGRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7-8(2)10(12(4,5)6)11(14)13-9(7)3/h1-6H3,(H,13,14).
What are the key properties of 3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one?
3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,5,6-trimethyl-1H-pyridin-2-one is sourced from PubChem (CID 58821082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).