2-methyl-2,5-dihydro-1H-pyridin-6-one

C6H9NO — CID 55303421

IUPAC2-methyl-2,5-dihydro-1H-pyridin-6-one
SMILESCC1C=CCC(=O)N1
InChIInChI=1S/C6H9NO/c1-5-3-2-4-6(8)7-5/h2-3,5H,4H2,1H3,(H,7,8)
InChIKeyVGVYIZZUPCTLRN-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.45
Rot. Bonds

About 2-methyl-2,5-dihydro-1H-pyridin-6-one

2-methyl-2,5-dihydro-1H-pyridin-6-one (PubChem CID 55303421) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-methyl-2,5-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name2-methyl-2,5-dihydro-1H-pyridin-6-one
PubChem CID55303421
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-methyl-2,5-dihydro-1H-pyridin-6-one
SMILESCC1C=CCC(=O)N1
InChIInChI=1S/C6H9NO/c1-5-3-2-4-6(8)7-5/h2-3,5H,4H2,1H3,(H,7,8)
InChIKeyVGVYIZZUPCTLRN-UHFFFAOYSA-N
XLogP0.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,5-dihydro-1H-pyridin-6-one?
The IUPAC name of 2-methyl-2,5-dihydro-1H-pyridin-6-one (CID 55303421) is 2-methyl-2,5-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 2-methyl-2,5-dihydro-1H-pyridin-6-one?
The canonical SMILES for 2-methyl-2,5-dihydro-1H-pyridin-6-one is CC1C=CCC(=O)N1.
What is the InChIKey of 2-methyl-2,5-dihydro-1H-pyridin-6-one?
The InChIKey is VGVYIZZUPCTLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-3-2-4-6(8)7-5/h2-3,5H,4H2,1H3,(H,7,8).
What are the key properties of 2-methyl-2,5-dihydro-1H-pyridin-6-one?
2-methyl-2,5-dihydro-1H-pyridin-6-one has a molecular weight of 111.14 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,5-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 55303421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).