4-methyl-5-propan-2-yloxy-1H-pyridin-2-one

C9H13NO2 — CID 138496543

IUPAC4-methyl-5-propan-2-yloxy-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1OC(C)C
InChIInChI=1S/C9H13NO2/c1-6(2)12-8-5-10-9(11)4-7(8)3/h4-6H,1-3H3,(H,10,11)
InChIKeyGSQCIQVYFLWBTK-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.47
Rot. Bonds2

About 4-methyl-5-propan-2-yloxy-1H-pyridin-2-one

4-methyl-5-propan-2-yloxy-1H-pyridin-2-one (PubChem CID 138496543) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yloxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-5-propan-2-yloxy-1H-pyridin-2-one
PubChem CID138496543
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-methyl-5-propan-2-yloxy-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1OC(C)C
InChIInChI=1S/C9H13NO2/c1-6(2)12-8-5-10-9(11)4-7(8)3/h4-6H,1-3H3,(H,10,11)
InChIKeyGSQCIQVYFLWBTK-UHFFFAOYSA-N
XLogP1.47
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Ethoxy-6-methoxy-3(2H)-isoquinolinone
CID 14067806
4-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-, 1-methylethyl ester
CID 71757680
7-Methoxyisoquinolin-3(2H)-one
CID 67521004
5-Ethoxypyridin-2(1H)-one
CID 89406623
7-ethoxy-2H-isoquinolin-3-one
CID 103351510
2,3-Dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one
CID 135075601
4-(Difluoromethyl)-5-methoxypyridin-2-ol
CID 118806810
3-Fluoro-5-isopropoxypyridin-2-ol
CID 168068855
6-methoxy-2H-isoquinolin-3-one
CID 21541259
4-(2-methylpropoxy)-1H-pyridin-2-one
CID 59665143
4-(methoxymethyl)-1H-pyridin-2-one
CID 67359309
5-propan-2-yloxy-1H-pyridin-2-one
CID 68761178

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-yloxy-1H-pyridin-2-one?
The IUPAC name of 4-methyl-5-propan-2-yloxy-1H-pyridin-2-one (CID 138496543) is 4-methyl-5-propan-2-yloxy-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-5-propan-2-yloxy-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-5-propan-2-yloxy-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1OC(C)C.
What is the InChIKey of 4-methyl-5-propan-2-yloxy-1H-pyridin-2-one?
The InChIKey is GSQCIQVYFLWBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(2)12-8-5-10-9(11)4-7(8)3/h4-6H,1-3H3,(H,10,11).
What are the key properties of 4-methyl-5-propan-2-yloxy-1H-pyridin-2-one?
4-methyl-5-propan-2-yloxy-1H-pyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yloxy-1H-pyridin-2-one is sourced from PubChem (CID 138496543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).