ethane;3-methyl-1H-pyridin-2-one

C8H13NO — CID 91405633

IUPACethane;3-methyl-1H-pyridin-2-one
SMILESCC.Cc1ccc[nH]c1=O
InChIInChI=1S/C6H7NO.C2H6/c1-5-3-2-4-7-6(5)8;1-2/h2-4H,1H3,(H,7,8);1-2H3
InChIKeyYEIZSZGFPHLROW-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.71
Rot. Bonds

About ethane;3-methyl-1H-pyridin-2-one

ethane;3-methyl-1H-pyridin-2-one (PubChem CID 91405633) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is ethane;3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;3-methyl-1H-pyridin-2-one
PubChem CID91405633
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Nameethane;3-methyl-1H-pyridin-2-one
SMILESCC.Cc1ccc[nH]c1=O
InChIInChI=1S/C6H7NO.C2H6/c1-5-3-2-4-7-6(5)8;1-2/h2-4H,1H3,(H,7,8);1-2H3
InChIKeyYEIZSZGFPHLROW-UHFFFAOYSA-N
XLogP1.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1H-pyridin-2-one?
The IUPAC name of ethane;3-methyl-1H-pyridin-2-one (CID 91405633) is ethane;3-methyl-1H-pyridin-2-one.
What is the SMILES notation for ethane;3-methyl-1H-pyridin-2-one?
The canonical SMILES for ethane;3-methyl-1H-pyridin-2-one is CC.Cc1ccc[nH]c1=O.
What is the InChIKey of ethane;3-methyl-1H-pyridin-2-one?
The InChIKey is YEIZSZGFPHLROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C2H6/c1-5-3-2-4-7-6(5)8;1-2/h2-4H,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;3-methyl-1H-pyridin-2-one?
ethane;3-methyl-1H-pyridin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 91405633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).