1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one

C12H19NO — CID 178098988

IUPAC1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one
SMILESCC(C)Cn1cccc(C(C)C)c1=O
InChIInChI=1S/C12H19NO/c1-9(2)8-13-7-5-6-11(10(3)4)12(13)14/h5-7,9-10H,8H2,1-4H3
InChIKeyVQSKISUUMBEUSB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.63
Rot. Bonds3

About 1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one

1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one (PubChem CID 178098988) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one
PubChem CID178098988
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one
SMILESCC(C)Cn1cccc(C(C)C)c1=O
InChIInChI=1S/C12H19NO/c1-9(2)8-13-7-5-6-11(10(3)4)12(13)14/h5-7,9-10H,8H2,1-4H3
InChIKeyVQSKISUUMBEUSB-UHFFFAOYSA-N
XLogP2.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178098981
3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one
CID 82526767
1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one
CID 178098892
1-(2-methylpropyl)-3-nitropyridin-2-one
CID 90225152
3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one
CID 105448424
ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one
CID 178098891
N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one
CID 177347775
3-[1-(2-methylpropyl)-2-oxo-3-pyridinyl]propanoyl chloride
CID 82526723
3-methyl-1-(3-methylbutyl)pyridin-2-one
CID 59562300
1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
CID 63810541
3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one
CID 170387634
2-propan-2-yl-1-[2-(2-propan-2-ylpyrrol-1-yl)ethyl]pyrrole
CID 15112359

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one (CID 178098988) is 1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one is CC(C)Cn1cccc(C(C)C)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one?
The InChIKey is VQSKISUUMBEUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)8-13-7-5-6-11(10(3)4)12(13)14/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one?
1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 178098988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).