ethane;1-methyl-2,3-dihydropyridin-6-one

C8H15NO — CID 91157166

IUPACethane;1-methyl-2,3-dihydropyridin-6-one
SMILESCC.CN1CCC=CC1=O
InChIInChI=1S/C6H9NO.C2H6/c1-7-5-3-2-4-6(7)8;1-2/h2,4H,3,5H2,1H3;1-2H3
InChIKeyDOXVXTXVENNGHO-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.43
Rot. Bonds

About ethane;1-methyl-2,3-dihydropyridin-6-one

ethane;1-methyl-2,3-dihydropyridin-6-one (PubChem CID 91157166) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethane;1-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Nameethane;1-methyl-2,3-dihydropyridin-6-one
PubChem CID91157166
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethane;1-methyl-2,3-dihydropyridin-6-one
SMILESCC.CN1CCC=CC1=O
InChIInChI=1S/C6H9NO.C2H6/c1-7-5-3-2-4-6(7)8;1-2/h2,4H,3,5H2,1H3;1-2H3
InChIKeyDOXVXTXVENNGHO-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1-methyl-2,3-dihydropyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of ethane;1-methyl-2,3-dihydropyridin-6-one (CID 91157166) is ethane;1-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for ethane;1-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for ethane;1-methyl-2,3-dihydropyridin-6-one is CC.CN1CCC=CC1=O.
What is the InChIKey of ethane;1-methyl-2,3-dihydropyridin-6-one?
The InChIKey is DOXVXTXVENNGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C2H6/c1-7-5-3-2-4-6(7)8;1-2/h2,4H,3,5H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-2,3-dihydropyridin-6-one?
ethane;1-methyl-2,3-dihydropyridin-6-one has a molecular weight of 141.21 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 91157166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).