3,4-dimethyl-1H-pyridin-2-one;ethane

C11H21NO — CID 177021392

IUPAC3,4-dimethyl-1H-pyridin-2-one;ethane
SMILESCC.CC.Cc1cc[nH]c(=O)c1C
InChIInChI=1S/C7H9NO.2C2H6/c1-5-3-4-8-7(9)6(5)2;2*1-2/h3-4H,1-2H3,(H,8,9);2*1-2H3
InChIKeyHJDGBJYLJDBDIV-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.04
Rot. Bonds

About 3,4-dimethyl-1H-pyridin-2-one;ethane

3,4-dimethyl-1H-pyridin-2-one;ethane (PubChem CID 177021392) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3,4-dimethyl-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name3,4-dimethyl-1H-pyridin-2-one;ethane
PubChem CID177021392
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3,4-dimethyl-1H-pyridin-2-one;ethane
SMILESCC.CC.Cc1cc[nH]c(=O)c1C
InChIInChI=1S/C7H9NO.2C2H6/c1-5-3-4-8-7(9)6(5)2;2*1-2/h3-4H,1-2H3,(H,8,9);2*1-2H3
InChIKeyHJDGBJYLJDBDIV-UHFFFAOYSA-N
XLogP3.04
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-ethyl-3-methyl-1H-pyridin-2-one
CID 155712799
3-isocyano-4-methyl-1H-pyridin-2-one
CID 171581169
2,3-dimethyl-1H-pyrrole;ethane
CID 91612743
ethane;8-methyl-2H-isoquinolin-1-one
CID 142940495
3-methyl-4-propanoyl-1H-pyridin-2-one
CID 10797117
6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one
CID 82276334
3-methyl-4-propoxy-1H-pyridin-2-one
CID 66739454
4-methyl-3-piperidin-4-yl-1H-pyridin-2-one
CID 135144921
2-methylpropane;3-methyl-1H-pyridin-2-one
CID 143900479
ethane;6-methyl-2H-isoquinolin-1-one
CID 142940504
3-methyl-5H-thieno[3,2-c]pyridin-4-one
CID 11600726
3-methyl-4-pentoxy-1H-pyridin-2-one
CID 66739839

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1H-pyridin-2-one;ethane?
The IUPAC name of 3,4-dimethyl-1H-pyridin-2-one;ethane (CID 177021392) is 3,4-dimethyl-1H-pyridin-2-one;ethane.
What is the SMILES notation for 3,4-dimethyl-1H-pyridin-2-one;ethane?
The canonical SMILES for 3,4-dimethyl-1H-pyridin-2-one;ethane is CC.CC.Cc1cc[nH]c(=O)c1C.
What is the InChIKey of 3,4-dimethyl-1H-pyridin-2-one;ethane?
The InChIKey is HJDGBJYLJDBDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.2C2H6/c1-5-3-4-8-7(9)6(5)2;2*1-2/h3-4H,1-2H3,(H,8,9);2*1-2H3.
What are the key properties of 3,4-dimethyl-1H-pyridin-2-one;ethane?
3,4-dimethyl-1H-pyridin-2-one;ethane has a molecular weight of 183.29 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1H-pyridin-2-one;ethane is sourced from PubChem (CID 177021392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).