1,3-dimethylpyridin-2-one;ethane

C9H15NO — CID 91539152

IUPAC1,3-dimethylpyridin-2-one;ethane
SMILESCC.Cc1cccn(C)c1=O
InChIInChI=1S/C7H9NO.C2H6/c1-6-4-3-5-8(2)7(6)9;1-2/h3-5H,1-2H3;1-2H3
InChIKeyRNOKPSGNLCLIOW-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.72
Rot. Bonds

About 1,3-dimethylpyridin-2-one;ethane

1,3-dimethylpyridin-2-one;ethane (PubChem CID 91539152) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1,3-dimethylpyridin-2-one;ethane.

Molecular Properties

Compound Name1,3-dimethylpyridin-2-one;ethane
PubChem CID91539152
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1,3-dimethylpyridin-2-one;ethane
SMILESCC.Cc1cccn(C)c1=O
InChIInChI=1S/C7H9NO.C2H6/c1-6-4-3-5-8(2)7(6)9;1-2/h3-5H,1-2H3;1-2H3
InChIKeyRNOKPSGNLCLIOW-UHFFFAOYSA-N
XLogP1.72
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyridin-2-one;ethane?
The IUPAC name of 1,3-dimethylpyridin-2-one;ethane (CID 91539152) is 1,3-dimethylpyridin-2-one;ethane.
What is the SMILES notation for 1,3-dimethylpyridin-2-one;ethane?
The canonical SMILES for 1,3-dimethylpyridin-2-one;ethane is CC.Cc1cccn(C)c1=O.
What is the InChIKey of 1,3-dimethylpyridin-2-one;ethane?
The InChIKey is RNOKPSGNLCLIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.C2H6/c1-6-4-3-5-8(2)7(6)9;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 1,3-dimethylpyridin-2-one;ethane?
1,3-dimethylpyridin-2-one;ethane has a molecular weight of 153.22 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyridin-2-one;ethane is sourced from PubChem (CID 91539152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).