3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol

C11H13NO — CID 67453041

IUPAC3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol
SMILESNc1cccc2c1C1CCC2C1O
InChIInChI=1S/C11H13NO/c12-9-3-1-2-6-7-4-5-8(10(6)9)11(7)13/h1-3,7-8,11,13H,4-5,12H2
InChIKeyYBZXBSKENHXTJH-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.60
Rot. Bonds

About 3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol

3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol (PubChem CID 67453041) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol.

Molecular Properties

Compound Name3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol
PubChem CID67453041
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol
SMILESNc1cccc2c1C1CCC2C1O
InChIInChI=1S/C11H13NO/c12-9-3-1-2-6-7-4-5-8(10(6)9)11(7)13/h1-3,7-8,11,13H,4-5,12H2
InChIKeyYBZXBSKENHXTJH-UHFFFAOYSA-N
XLogP1.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol 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 3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol?
The IUPAC name of 3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol (CID 67453041) is 3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol.
What is the SMILES notation for 3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol?
The canonical SMILES for 3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol is Nc1cccc2c1C1CCC2C1O.
What is the InChIKey of 3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol?
The InChIKey is YBZXBSKENHXTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-9-3-1-2-6-7-4-5-8(10(6)9)11(7)13/h1-3,7-8,11,13H,4-5,12H2.
What are the key properties of 3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol?
3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol has a molecular weight of 175.23 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-ol is sourced from PubChem (CID 67453041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).