4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

C9H11NO3 — CID 54184071

IUPAC4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1O)C1CCC2C1
InChIInChI=1S/C9H11NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h4-5,11-13H,1-3H2
InChIKeyPDWJENHAFNZDKA-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.50
Rot. Bonds

About 4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (PubChem CID 54184071) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.

Molecular Properties

Compound Name4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
PubChem CID54184071
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1O)C1CCC2C1
InChIInChI=1S/C9H11NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h4-5,11-13H,1-3H2
InChIKeyPDWJENHAFNZDKA-UHFFFAOYSA-N
XLogP1.50
TPSA65.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-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

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
(3,5-Dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl) trifluoromethanesulfonate
CID 53639739
(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
(3,5-Dihydroxy-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl) 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl sulfite
CID 53857034
(9,11-Diethyl-3,5-dihydroxy-4-azatetracyclo[5.5.1.02,6.08,12]trideca-2,5-dien-4-yl) 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl sulfite
CID 53909372
(10,12-Dihydroxy-4,5-dimethyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-dien-11-yl) 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl sulfite
CID 53933466
(4,6-diethyl-1,3-dihydroxy-5,6-dihydro-4H-cyclopenta[c]pyrrol-2-yl) trifluoromethanesulfonate
CID 54035957
(9,11-Diethyl-3,5-dihydroxy-4-azatetracyclo[5.5.1.02,6.08,12]trideca-2,5-dien-4-yl) trifluoromethanesulfonate
CID 54345976
4-(Trifluoromethylsulfanyloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91008147
(3,5-Dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl) 2,2,2-trifluoroacetate
CID 91544062
(3,5-Dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl) trifluoromethanesulfonate
CID 91559939

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The IUPAC name of 4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (CID 54184071) is 4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.
What is the SMILES notation for 4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The canonical SMILES for 4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is Oc1c2c(c(O)n1O)C1CCC2C1.
What is the InChIKey of 4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The InChIKey is PDWJENHAFNZDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h4-5,11-13H,1-3H2.
What are the key properties of 4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol has a molecular weight of 181.19 g/mol, XLogP of 1.50, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is sourced from PubChem (CID 54184071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).