4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

C13H17NO2 — CID 90781450

IUPAC4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESCC1=C(C)C2c3c(c(O)n(C)c3O)C1C2C
InChIInChI=1S/C13H17NO2/c1-5-6(2)9-7(3)8(5)10-11(9)13(16)14(4)12(10)15/h7-9,15-16H,1-4H3
InChIKeyASNKQVXOSDFMRO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.60
Rot. Bonds

About 4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (PubChem CID 90781450) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.

Molecular Properties

Compound Name4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
PubChem CID90781450
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESCC1=C(C)C2c3c(c(O)n(C)c3O)C1C2C
InChIInChI=1S/C13H17NO2/c1-5-6(2)9-7(3)8(5)10-11(9)13(16)14(4)12(10)15/h7-9,15-16H,1-4H3
InChIKeyASNKQVXOSDFMRO-UHFFFAOYSA-N
XLogP2.60
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3,5-Dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)oxy-(dimethylamino)methylidene]-dimethylazanium
CID 53798661
4-Hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53869288
(4,6-diethyl-1,3-dihydroxy-5,6-dihydro-4H-cyclopenta[c]pyrrol-2-yl) 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl sulfite
CID 53681508
(4,6-diethyl-1,3-dihydroxy-5,6-dihydro-4H-cyclopenta[c]pyrrol-2-yl) trifluoromethanesulfonate
CID 54035957
8-Fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 123233301
1,7,8,9,10-Pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 54172418
4-Hydroxy-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90980669
2-(3,5-Dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)acetic acid
CID 123433461
2-Methyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 12842415
4-Azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53631084
4-(3-Methyl-1-phenylbut-3-en-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53672297
4-(2-Ethylheptyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53684006

Frequently Asked Questions

What is the IUPAC name of 4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The IUPAC name of 4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (CID 90781450) is 4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.
What is the SMILES notation for 4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The canonical SMILES for 4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is CC1=C(C)C2c3c(c(O)n(C)c3O)C1C2C.
What is the InChIKey of 4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The InChIKey is ASNKQVXOSDFMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-5-6(2)9-7(3)8(5)10-11(9)13(16)14(4)12(10)15/h7-9,15-16H,1-4H3.
What are the key properties of 4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol has a molecular weight of 219.28 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,9,10-tetramethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is sourced from PubChem (CID 90781450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).