4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

C10H11NO3 — CID 91247246

IUPAC4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESCOn1c(O)c2c(c1O)C1C=CC2C1
InChIInChI=1S/C10H11NO3/c1-14-11-9(12)7-5-2-3-6(4-5)8(7)10(11)13/h2-3,5-6,12-13H,4H2,1H3
InChIKeyMODYTLVRRYYLKR-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.10
Rot. Bonds1

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

4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (PubChem CID 91247246) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.

Molecular Properties

Compound Name4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
PubChem CID91247246
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESCOn1c(O)c2c(c1O)C1C=CC2C1
InChIInChI=1S/C10H11NO3/c1-14-11-9(12)7-5-2-3-6(4-5)8(7)10(11)13/h2-3,5-6,12-13H,4H2,1H3
InChIKeyMODYTLVRRYYLKR-UHFFFAOYSA-N
XLogP1.10
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The IUPAC name of 4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (CID 91247246) is 4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.
What is the SMILES notation for 4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The canonical SMILES for 4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is COn1c(O)c2c(c1O)C1C=CC2C1.
What is the InChIKey of 4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The InChIKey is MODYTLVRRYYLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-11-9(12)7-5-2-3-6(4-5)8(7)10(11)13/h2-3,5-6,12-13H,4H2,1H3.
What are the key properties of 4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol has a molecular weight of 193.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is sourced from PubChem (CID 91247246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).