methane;3-propan-2-yl-1H-pyridin-2-one

C10H19NO — CID 159076813

IUPACmethane;3-propan-2-yl-1H-pyridin-2-one
SMILESC.C.CC(C)c1ccc[nH]c1=O
InChIInChI=1S/C8H11NO.2CH4/c1-6(2)7-4-3-5-9-8(7)10;;/h3-6H,1-2H3,(H,9,10);2*1H4
InChIKeyKAIVCYGDYMMEMU-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.77
Rot. Bonds1

About methane;3-propan-2-yl-1H-pyridin-2-one

methane;3-propan-2-yl-1H-pyridin-2-one (PubChem CID 159076813) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is methane;3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Namemethane;3-propan-2-yl-1H-pyridin-2-one
PubChem CID159076813
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Namemethane;3-propan-2-yl-1H-pyridin-2-one
SMILESC.C.CC(C)c1ccc[nH]c1=O
InChIInChI=1S/C8H11NO.2CH4/c1-6(2)7-4-3-5-9-8(7)10;;/h3-6H,1-2H3,(H,9,10);2*1H4
InChIKeyKAIVCYGDYMMEMU-UHFFFAOYSA-N
XLogP2.77
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one
CID 161316571
3-[(1R)-1-aminoethyl]-1H-pyridin-2-one
CID 55263461
3-(1-aminoethyl)-1H-pyridin-2-one
CID 12982899
2-(2-oxo-1H-pyridin-3-yl)propanenitrile
CID 171567137
3-(dihydroxymethyl)-1H-pyridin-2-one
CID 89458660
3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one
CID 159358834
3-hexan-2-yl-1H-pyridin-2-one
CID 146209312
2-methylpropane;3-methyl-1H-pyridin-2-one
CID 143900479
3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one
CID 135197002
3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
CID 131031761
3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
CID 55275457
3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one
CID 55294092

Frequently Asked Questions

What is the IUPAC name of methane;3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of methane;3-propan-2-yl-1H-pyridin-2-one (CID 159076813) is methane;3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for methane;3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for methane;3-propan-2-yl-1H-pyridin-2-one is C.C.CC(C)c1ccc[nH]c1=O.
What is the InChIKey of methane;3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is KAIVCYGDYMMEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.2CH4/c1-6(2)7-4-3-5-9-8(7)10;;/h3-6H,1-2H3,(H,9,10);2*1H4.
What are the key properties of methane;3-propan-2-yl-1H-pyridin-2-one?
methane;3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 159076813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).