(1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

C19H15NO2 — CID 90761301

IUPAC(1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESOc1c2c(c(O)n1-c1ccc3ccccc3c1)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C19H15NO2/c21-18-16-13-5-6-14(9-13)17(16)19(22)20(18)15-8-7-11-3-1-2-4-12(11)10-15/h1-8,10,13-14,21-22H,9H2/t13-,14+
InChIKeyFHWJJPSAQQZCSI-OKILXGFUSA-N
MW289.33 g/mol
LogP4.18
Rot. Bonds1

About (1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

(1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (PubChem CID 90761301) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.

Molecular Properties

Compound Name(1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
PubChem CID90761301
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name(1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESOc1c2c(c(O)n1-c1ccc3ccccc3c1)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C19H15NO2/c21-18-16-13-5-6-14(9-13)17(16)19(22)20(18)15-8-7-11-3-1-2-4-12(11)10-15/h1-8,10,13-14,21-22H,9H2/t13-,14+
InChIKeyFHWJJPSAQQZCSI-OKILXGFUSA-N
XLogP4.18
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The IUPAC name of (1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (CID 90761301) is (1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.
What is the SMILES notation for (1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The canonical SMILES for (1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is Oc1c2c(c(O)n1-c1ccc3ccccc3c1)[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The InChIKey is FHWJJPSAQQZCSI-OKILXGFUSA-N. The full InChI is InChI=1S/C19H15NO2/c21-18-16-13-5-6-14(9-13)17(16)19(22)20(18)15-8-7-11-3-1-2-4-12(11)10-15/h1-8,10,13-14,21-22H,9H2/t13-,14+.
What are the key properties of (1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
(1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol has a molecular weight of 289.33 g/mol, XLogP of 4.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is sourced from PubChem (CID 90761301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).