ethane;4-methyl-3H-pyridin-2-one

C8H13NO — CID 91006355

IUPACethane;4-methyl-3H-pyridin-2-one
SMILESCC.CC1=CC=NC(=O)C1
InChIInChI=1S/C6H7NO.C2H6/c1-5-2-3-7-6(8)4-5;1-2/h2-3H,4H2,1H3;1-2H3
InChIKeyIUUMVDAQGFCCLJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.96
Rot. Bonds

About ethane;4-methyl-3H-pyridin-2-one

ethane;4-methyl-3H-pyridin-2-one (PubChem CID 91006355) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is ethane;4-methyl-3H-pyridin-2-one.

Molecular Properties

Compound Nameethane;4-methyl-3H-pyridin-2-one
PubChem CID91006355
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Nameethane;4-methyl-3H-pyridin-2-one
SMILESCC.CC1=CC=NC(=O)C1
InChIInChI=1S/C6H7NO.C2H6/c1-5-2-3-7-6(8)4-5;1-2/h2-3H,4H2,1H3;1-2H3
InChIKeyIUUMVDAQGFCCLJ-UHFFFAOYSA-N
XLogP1.96
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3H-pyridin-2-one?
The IUPAC name of ethane;4-methyl-3H-pyridin-2-one (CID 91006355) is ethane;4-methyl-3H-pyridin-2-one.
What is the SMILES notation for ethane;4-methyl-3H-pyridin-2-one?
The canonical SMILES for ethane;4-methyl-3H-pyridin-2-one is CC.CC1=CC=NC(=O)C1.
What is the InChIKey of ethane;4-methyl-3H-pyridin-2-one?
The InChIKey is IUUMVDAQGFCCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C2H6/c1-5-2-3-7-6(8)4-5;1-2/h2-3H,4H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-3H-pyridin-2-one?
ethane;4-methyl-3H-pyridin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3H-pyridin-2-one is sourced from PubChem (CID 91006355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).