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

C19H17NO2 — CID 90812454

IUPAC(1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1-c1cccc3ccccc13)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C19H17NO2/c21-18-16-12-8-9-13(10-12)17(16)19(22)20(18)15-7-3-5-11-4-1-2-6-14(11)15/h1-7,12-13,21-22H,8-10H2/t12-,13+
InChIKeyGZWODYZYQDLSAZ-BETUJISGSA-N
MW291.35 g/mol
LogP4.41
Rot. Bonds1

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

(1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (PubChem CID 90812454) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.

Molecular Properties

Compound Name(1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
PubChem CID90812454
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1-c1cccc3ccccc13)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C19H17NO2/c21-18-16-12-8-9-13(10-12)17(16)19(22)20(18)15-7-3-5-11-4-1-2-6-14(11)15/h1-7,12-13,21-22H,8-10H2/t12-,13+
InChIKeyGZWODYZYQDLSAZ-BETUJISGSA-N
XLogP4.41
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The IUPAC name of (1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (CID 90812454) is (1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.
What is the SMILES notation for (1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The canonical SMILES for (1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is Oc1c2c(c(O)n1-c1cccc3ccccc13)[C@H]1CC[C@@H]2C1.
What is the InChIKey of (1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The InChIKey is GZWODYZYQDLSAZ-BETUJISGSA-N. The full InChI is InChI=1S/C19H17NO2/c21-18-16-12-8-9-13(10-12)17(16)19(22)20(18)15-7-3-5-11-4-1-2-6-14(11)15/h1-7,12-13,21-22H,8-10H2/t12-,13+.
What are the key properties of (1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
(1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol has a molecular weight of 291.35 g/mol, XLogP of 4.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is sourced from PubChem (CID 90812454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).