6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one

C13H16N2O2 — CID 138385101

IUPAC6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CC3CC3(C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H16N2O2/c1-8-3-9(4-11(16)14-8)12(17)15-6-10-5-13(10,2)7-15/h3-4,10H,5-7H2,1-2H3,(H,14,16)
InChIKeyZYPRLSSPORROQU-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.17
Rot. Bonds1

About 6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one

6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one (PubChem CID 138385101) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one
PubChem CID138385101
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CC3CC3(C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H16N2O2/c1-8-3-9(4-11(16)14-8)12(17)15-6-10-5-13(10,2)7-15/h3-4,10H,5-7H2,1-2H3,(H,14,16)
InChIKeyZYPRLSSPORROQU-UHFFFAOYSA-N
XLogP1.17
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one (CID 138385101) is 6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one is Cc1cc(C(=O)N2CC3CC3(C)C2)cc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one?
The InChIKey is ZYPRLSSPORROQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-3-9(4-11(16)14-8)12(17)15-6-10-5-13(10,2)7-15/h3-4,10H,5-7H2,1-2H3,(H,14,16).
What are the key properties of 6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one?
6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 138385101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).