methane;6-methyl-1H-pyridin-2-one

C7H11NO — CID 69220391

IUPACmethane;6-methyl-1H-pyridin-2-one
SMILESC.Cc1cccc(=O)[nH]1
InChIInChI=1S/C6H7NO.CH4/c1-5-3-2-4-6(8)7-5;/h2-4H,1H3,(H,7,8);1H4
InChIKeyKLYOXRPUMNNWLD-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.32
Rot. Bonds

About methane;6-methyl-1H-pyridin-2-one

methane;6-methyl-1H-pyridin-2-one (PubChem CID 69220391) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is methane;6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Namemethane;6-methyl-1H-pyridin-2-one
PubChem CID69220391
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Namemethane;6-methyl-1H-pyridin-2-one
SMILESC.Cc1cccc(=O)[nH]1
InChIInChI=1S/C6H7NO.CH4/c1-5-3-2-4-6(8)7-5;/h2-4H,1H3,(H,7,8);1H4
InChIKeyKLYOXRPUMNNWLD-UHFFFAOYSA-N
XLogP1.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;6-methyl-1H-pyridin-2-one?
The IUPAC name of methane;6-methyl-1H-pyridin-2-one (CID 69220391) is methane;6-methyl-1H-pyridin-2-one.
What is the SMILES notation for methane;6-methyl-1H-pyridin-2-one?
The canonical SMILES for methane;6-methyl-1H-pyridin-2-one is C.Cc1cccc(=O)[nH]1.
What is the InChIKey of methane;6-methyl-1H-pyridin-2-one?
The InChIKey is KLYOXRPUMNNWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.CH4/c1-5-3-2-4-6(8)7-5;/h2-4H,1H3,(H,7,8);1H4.
What are the key properties of methane;6-methyl-1H-pyridin-2-one?
methane;6-methyl-1H-pyridin-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 69220391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).