methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one

C14H22N2O — CID 162524268

IUPACmethane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one
SMILESC.CN1C2CCC(CC2)C1c1ccc(=O)[nH]c1
InChIInChI=1S/C13H18N2O.CH4/c1-15-11-5-2-9(3-6-11)13(15)10-4-7-12(16)14-8-10;/h4,7-9,11,13H,2-3,5-6H2,1H3,(H,14,16);1H4
InChIKeyWBIQDNMTANAAHN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds1

About methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one

methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one (PubChem CID 162524268) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Namemethane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one
PubChem CID162524268
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Namemethane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one
SMILESC.CN1C2CCC(CC2)C1c1ccc(=O)[nH]c1
InChIInChI=1S/C13H18N2O.CH4/c1-15-11-5-2-9(3-6-11)13(15)10-4-7-12(16)14-8-10;/h4,7-9,11,13H,2-3,5-6H2,1H3,(H,14,16);1H4
InChIKeyWBIQDNMTANAAHN-UHFFFAOYSA-N
XLogP2.56
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one?
The IUPAC name of methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one (CID 162524268) is methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one?
The canonical SMILES for methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one is C.CN1C2CCC(CC2)C1c1ccc(=O)[nH]c1.
What is the InChIKey of methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one?
The InChIKey is WBIQDNMTANAAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.CH4/c1-15-11-5-2-9(3-6-11)13(15)10-4-7-12(16)14-8-10;/h4,7-9,11,13H,2-3,5-6H2,1H3,(H,14,16);1H4.
What are the key properties of methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one?
methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 162524268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).