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

C11H15NO — CID 22947680

IUPAC7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
SMILESCc1c(C)c(C)c2c(c1C)CN2O
InChIInChI=1S/C11H15NO/c1-6-7(2)9(4)11-10(8(6)3)5-12(11)13/h13H,5H2,1-4H3
InChIKeyPTJHEXLYKFPJRB-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.63
Rot. Bonds

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

7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 22947680) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
PubChem CID22947680
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
SMILESCc1c(C)c(C)c2c(c1C)CN2O
InChIInChI=1S/C11H15NO/c1-6-7(2)9(4)11-10(8(6)3)5-12(11)13/h13H,5H2,1-4H3
InChIKeyPTJHEXLYKFPJRB-UHFFFAOYSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.63
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?
The IUPAC name of 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene (CID 22947680) is 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene is 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?
The InChIKey is PTJHEXLYKFPJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-6-7(2)9(4)11-10(8(6)3)5-12(11)13/h13H,5H2,1-4H3.
What are the key properties of 7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene?
7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 177.25 g/mol, XLogP of 2.63, 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 is sourced from PubChem (CID 22947680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).