4,5-di(propan-2-yl)-1H-pyridin-2-one

C11H17NO — CID 59706729

IUPAC4,5-di(propan-2-yl)-1H-pyridin-2-one
SMILESCC(C)c1c[nH]c(=O)cc1C(C)C
InChIInChI=1S/C11H17NO/c1-7(2)9-5-11(13)12-6-10(9)8(3)4/h5-8H,1-4H3,(H,12,13)
InChIKeyJGOVZMDHVGDPSC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.62
Rot. Bonds2

About 4,5-di(propan-2-yl)-1H-pyridin-2-one

4,5-di(propan-2-yl)-1H-pyridin-2-one (PubChem CID 59706729) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-1H-pyridin-2-one
PubChem CID59706729
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4,5-di(propan-2-yl)-1H-pyridin-2-one
SMILESCC(C)c1c[nH]c(=O)cc1C(C)C
InChIInChI=1S/C11H17NO/c1-7(2)9-5-11(13)12-6-10(9)8(3)4/h5-8H,1-4H3,(H,12,13)
InChIKeyJGOVZMDHVGDPSC-UHFFFAOYSA-N
XLogP2.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4,5-di(propan-2-yl)-1H-pyridin-2-one (CID 59706729) is 4,5-di(propan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4,5-di(propan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4,5-di(propan-2-yl)-1H-pyridin-2-one is CC(C)c1c[nH]c(=O)cc1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-1H-pyridin-2-one?
The InChIKey is JGOVZMDHVGDPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7(2)9-5-11(13)12-6-10(9)8(3)4/h5-8H,1-4H3,(H,12,13).
What are the key properties of 4,5-di(propan-2-yl)-1H-pyridin-2-one?
4,5-di(propan-2-yl)-1H-pyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 59706729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).