4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane

C12H21NO — CID 165397927

IUPAC4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane
SMILESCC.Cc1cc(=O)n(C(C)C)cc1C
InChIInChI=1S/C10H15NO.C2H6/c1-7(2)11-6-9(4)8(3)5-10(11)12;1-2/h5-7H,1-4H3;1-2H3
InChIKeyZELNMZXMOVSBOM-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.07
Rot. Bonds1

About 4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane

4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane (PubChem CID 165397927) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane.

Molecular Properties

Compound Name4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane
PubChem CID165397927
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane
SMILESCC.Cc1cc(=O)n(C(C)C)cc1C
InChIInChI=1S/C10H15NO.C2H6/c1-7(2)11-6-9(4)8(3)5-10(11)12;1-2/h5-7H,1-4H3;1-2H3
InChIKeyZELNMZXMOVSBOM-UHFFFAOYSA-N
XLogP3.07
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane?
The IUPAC name of 4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane (CID 165397927) is 4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane.
What is the SMILES notation for 4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane?
The canonical SMILES for 4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane is CC.Cc1cc(=O)n(C(C)C)cc1C.
What is the InChIKey of 4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane?
The InChIKey is ZELNMZXMOVSBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-7(2)11-6-9(4)8(3)5-10(11)12;1-2/h5-7H,1-4H3;1-2H3.
What are the key properties of 4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane?
4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane has a molecular weight of 195.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-propan-2-ylpyridin-2-one;ethane is sourced from PubChem (CID 165397927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).