6-ethyl-1H-pyridin-2-one;methane

C8H13NO — CID 70058402

IUPAC6-ethyl-1H-pyridin-2-one;methane
SMILESC.CCc1cccc(=O)[nH]1
InChIInChI=1S/C7H9NO.CH4/c1-2-6-4-3-5-7(9)8-6;/h3-5H,2H2,1H3,(H,8,9);1H4
InChIKeyWNDYTIJKDKLPRO-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.57
Rot. Bonds1

About 6-ethyl-1H-pyridin-2-one;methane

6-ethyl-1H-pyridin-2-one;methane (PubChem CID 70058402) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-ethyl-1H-pyridin-2-one;methane.

Molecular Properties

Compound Name6-ethyl-1H-pyridin-2-one;methane
PubChem CID70058402
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-ethyl-1H-pyridin-2-one;methane
SMILESC.CCc1cccc(=O)[nH]1
InChIInChI=1S/C7H9NO.CH4/c1-2-6-4-3-5-7(9)8-6;/h3-5H,2H2,1H3,(H,8,9);1H4
InChIKeyWNDYTIJKDKLPRO-UHFFFAOYSA-N
XLogP1.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1H-pyridin-2-one;methane?
The IUPAC name of 6-ethyl-1H-pyridin-2-one;methane (CID 70058402) is 6-ethyl-1H-pyridin-2-one;methane.
What is the SMILES notation for 6-ethyl-1H-pyridin-2-one;methane?
The canonical SMILES for 6-ethyl-1H-pyridin-2-one;methane is C.CCc1cccc(=O)[nH]1.
What is the InChIKey of 6-ethyl-1H-pyridin-2-one;methane?
The InChIKey is WNDYTIJKDKLPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.CH4/c1-2-6-4-3-5-7(9)8-6;/h3-5H,2H2,1H3,(H,8,9);1H4.
What are the key properties of 6-ethyl-1H-pyridin-2-one;methane?
6-ethyl-1H-pyridin-2-one;methane has a molecular weight of 139.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1H-pyridin-2-one;methane is sourced from PubChem (CID 70058402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).