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

C12H19NO — CID 58327584

IUPAC3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one
SMILESCc1cc(C(C)C)c(C(C)C)[nH]c1=O
InChIInChI=1S/C12H19NO/c1-7(2)10-6-9(5)12(14)13-11(10)8(3)4/h6-8H,1-5H3,(H,13,14)
InChIKeyIDCQYFGNLJQHDG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.93
Rot. Bonds2

About 3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one

3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one (PubChem CID 58327584) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one
PubChem CID58327584
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one
SMILESCc1cc(C(C)C)c(C(C)C)[nH]c1=O
InChIInChI=1S/C12H19NO/c1-7(2)10-6-9(5)12(14)13-11(10)8(3)4/h6-8H,1-5H3,(H,13,14)
InChIKeyIDCQYFGNLJQHDG-UHFFFAOYSA-N
XLogP2.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one (CID 58327584) is 3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one is Cc1cc(C(C)C)c(C(C)C)[nH]c1=O.
What is the InChIKey of 3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one?
The InChIKey is IDCQYFGNLJQHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7(2)10-6-9(5)12(14)13-11(10)8(3)4/h6-8H,1-5H3,(H,13,14).
What are the key properties of 3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one?
3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 58327584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).