(1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol

C15H21NO — CID 11064278

IUPAC(1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol
SMILESO[C@@]12CCCC[C@H]1Cc1cccnc1CCC2
InChIInChI=1S/C15H21NO/c17-15-8-2-1-6-13(15)11-12-5-4-10-16-14(12)7-3-9-15/h4-5,10,13,17H,1-3,6-9,11H2/t13-,15+/m0/s1
InChIKeyKGFQTGSHJCAOLT-DZGCQCFKSA-N
MW231.34 g/mol
LogP2.88
Rot. Bonds

About (1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol

(1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol (PubChem CID 11064278) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol.

Molecular Properties

Compound Name(1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol
PubChem CID11064278
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol
SMILESO[C@@]12CCCC[C@H]1Cc1cccnc1CCC2
InChIInChI=1S/C15H21NO/c17-15-8-2-1-6-13(15)11-12-5-4-10-16-14(12)7-3-9-15/h4-5,10,13,17H,1-3,6-9,11H2/t13-,15+/m0/s1
InChIKeyKGFQTGSHJCAOLT-DZGCQCFKSA-N
XLogP2.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-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 (1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol?
The IUPAC name of (1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol (CID 11064278) is (1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol.
What is the SMILES notation for (1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol?
The canonical SMILES for (1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol is O[C@@]12CCCC[C@H]1Cc1cccnc1CCC2.
What is the InChIKey of (1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol?
The InChIKey is KGFQTGSHJCAOLT-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-8-2-1-6-13(15)11-12-5-4-10-16-14(12)7-3-9-15/h4-5,10,13,17H,1-3,6-9,11H2/t13-,15+/m0/s1.
What are the key properties of (1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol?
(1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol has a molecular weight of 231.34 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol is sourced from PubChem (CID 11064278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).