ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen

C8H15NO — CID 171659448

IUPACethane;5-methyl-1H-pyridin-2-one;molecular hydrogen
SMILESCC.Cc1ccc(=O)[nH]c1.[H][H]
InChIInChI=1S/C6H7NO.C2H6.H2/c1-5-2-3-6(8)7-4-5;1-2;/h2-4H,1H3,(H,7,8);1-2H3;1H
InChIKeyXTOLTGBYYKMBPB-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.96
Rot. Bonds

About ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen

ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen (PubChem CID 171659448) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen.

Molecular Properties

Compound Nameethane;5-methyl-1H-pyridin-2-one;molecular hydrogen
PubChem CID171659448
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethane;5-methyl-1H-pyridin-2-one;molecular hydrogen
SMILESCC.Cc1ccc(=O)[nH]c1.[H][H]
InChIInChI=1S/C6H7NO.C2H6.H2/c1-5-2-3-6(8)7-4-5;1-2;/h2-4H,1H3,(H,7,8);1-2H3;1H
InChIKeyXTOLTGBYYKMBPB-UHFFFAOYSA-N
XLogP1.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen?
The IUPAC name of ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen (CID 171659448) is ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen.
What is the SMILES notation for ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen?
The canonical SMILES for ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen is CC.Cc1ccc(=O)[nH]c1.[H][H].
What is the InChIKey of ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen?
The InChIKey is XTOLTGBYYKMBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C2H6.H2/c1-5-2-3-6(8)7-4-5;1-2;/h2-4H,1H3,(H,7,8);1-2H3;1H.
What are the key properties of ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen?
ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen has a molecular weight of 141.21 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen is sourced from PubChem (CID 171659448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).