8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol

C14H19NO2 — CID 90872933

IUPAC8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
SMILESCC1=CC2c3c(O)[nH]c(O)c3C1CC2C(C)C
InChIInChI=1S/C14H19NO2/c1-6(2)8-5-9-7(3)4-10(8)12-11(9)13(16)15-14(12)17/h4,6,8-10,15-17H,5H2,1-3H3
InChIKeyAJTLECQAMZQZLS-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.23
Rot. Bonds1

About 8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol

8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol (PubChem CID 90872933) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol.

Molecular Properties

Compound Name8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
PubChem CID90872933
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
SMILESCC1=CC2c3c(O)[nH]c(O)c3C1CC2C(C)C
InChIInChI=1S/C14H19NO2/c1-6(2)8-5-9-7(3)4-10(8)12-11(9)13(16)15-14(12)17/h4,6,8-10,15-17H,5H2,1-3H3
InChIKeyAJTLECQAMZQZLS-UHFFFAOYSA-N
XLogP3.23
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol?
The IUPAC name of 8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol (CID 90872933) is 8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol.
What is the SMILES notation for 8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol?
The canonical SMILES for 8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol is CC1=CC2c3c(O)[nH]c(O)c3C1CC2C(C)C.
What is the InChIKey of 8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol?
The InChIKey is AJTLECQAMZQZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-6(2)8-5-9-7(3)4-10(8)12-11(9)13(16)15-14(12)17/h4,6,8-10,15-17H,5H2,1-3H3.
What are the key properties of 8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol?
8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol has a molecular weight of 233.31 g/mol, XLogP of 3.23, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol is sourced from PubChem (CID 90872933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).