4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one

C12H21NO — CID 122484646

IUPAC4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one
SMILESCC1=CC(C)(C)CC(=O)N1CC(C)C
InChIInChI=1S/C12H21NO/c1-9(2)8-13-10(3)6-12(4,5)7-11(13)14/h6,9H,7-8H2,1-5H3
InChIKeyURAREGHJODCUQZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.80
Rot. Bonds2

About 4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one

4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one (PubChem CID 122484646) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one.

Molecular Properties

Compound Name4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one
PubChem CID122484646
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one
SMILESCC1=CC(C)(C)CC(=O)N1CC(C)C
InChIInChI=1S/C12H21NO/c1-9(2)8-13-10(3)6-12(4,5)7-11(13)14/h6,9H,7-8H2,1-5H3
InChIKeyURAREGHJODCUQZ-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one?
The IUPAC name of 4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one (CID 122484646) is 4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one.
What is the SMILES notation for 4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one?
The canonical SMILES for 4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one is CC1=CC(C)(C)CC(=O)N1CC(C)C.
What is the InChIKey of 4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one?
The InChIKey is URAREGHJODCUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)8-13-10(3)6-12(4,5)7-11(13)14/h6,9H,7-8H2,1-5H3.
What are the key properties of 4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one?
4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-1-(2-methylpropyl)-3H-pyridin-2-one is sourced from PubChem (CID 122484646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).