7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane

C12H19NO — CID 159343583

IUPAC7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane
SMILESC.Cc1c(C)c(C)c2c(c1C)CN2O
InChIInChI=1S/C11H15NO.CH4/c1-6-7(2)9(4)11-10(8(6)3)5-12(11)13;/h13H,5H2,1-4H3;1H4
InChIKeyLGKZUMNHQQZWMB-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.27
Rot. Bonds

About 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane

7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane (PubChem CID 159343583) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane.

Molecular Properties

Compound Name7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane
PubChem CID159343583
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane
SMILESC.Cc1c(C)c(C)c2c(c1C)CN2O
InChIInChI=1S/C11H15NO.CH4/c1-6-7(2)9(4)11-10(8(6)3)5-12(11)13;/h13H,5H2,1-4H3;1H4
InChIKeyLGKZUMNHQQZWMB-UHFFFAOYSA-N
XLogP3.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane?
The IUPAC name of 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane (CID 159343583) is 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane.
What is the SMILES notation for 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane?
The canonical SMILES for 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane is C.Cc1c(C)c(C)c2c(c1C)CN2O.
What is the InChIKey of 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane?
The InChIKey is LGKZUMNHQQZWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.CH4/c1-6-7(2)9(4)11-10(8(6)3)5-12(11)13;/h13H,5H2,1-4H3;1H4.
What are the key properties of 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane?
7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane has a molecular weight of 193.29 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene;methane is sourced from PubChem (CID 159343583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).