methane;6-methyl-2H-pyridin-3-one

C7H11NO — CID 158116466

IUPACmethane;6-methyl-2H-pyridin-3-one
SMILESC.CC1=NCC(=O)C=C1
InChIInChI=1S/C6H7NO.CH4/c1-5-2-3-6(8)4-7-5;/h2-3H,4H2,1H3;1H4
InChIKeyFRBLHWWZYVQGPE-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.22
Rot. Bonds

About methane;6-methyl-2H-pyridin-3-one

methane;6-methyl-2H-pyridin-3-one (PubChem CID 158116466) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is methane;6-methyl-2H-pyridin-3-one.

Molecular Properties

Compound Namemethane;6-methyl-2H-pyridin-3-one
PubChem CID158116466
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Namemethane;6-methyl-2H-pyridin-3-one
SMILESC.CC1=NCC(=O)C=C1
InChIInChI=1S/C6H7NO.CH4/c1-5-2-3-6(8)4-7-5;/h2-3H,4H2,1H3;1H4
InChIKeyFRBLHWWZYVQGPE-UHFFFAOYSA-N
XLogP1.22
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;6-methyl-2H-pyridin-3-one?
The IUPAC name of methane;6-methyl-2H-pyridin-3-one (CID 158116466) is methane;6-methyl-2H-pyridin-3-one.
What is the SMILES notation for methane;6-methyl-2H-pyridin-3-one?
The canonical SMILES for methane;6-methyl-2H-pyridin-3-one is C.CC1=NCC(=O)C=C1.
What is the InChIKey of methane;6-methyl-2H-pyridin-3-one?
The InChIKey is FRBLHWWZYVQGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.CH4/c1-5-2-3-6(8)4-7-5;/h2-3H,4H2,1H3;1H4.
What are the key properties of methane;6-methyl-2H-pyridin-3-one?
methane;6-methyl-2H-pyridin-3-one has a molecular weight of 125.17 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-methyl-2H-pyridin-3-one is sourced from PubChem (CID 158116466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).