(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

C11H13N — CID 11232816

IUPAC(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)[C@@H]1CNC[C@H]2C1
InChIInChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2/t8-,9+
InChIKeyCOMHUAMOJSTCMM-DTORHVGOSA-N
MW159.23 g/mol
LogP1.86
Rot. Bonds

About (1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (PubChem CID 11232816) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
PubChem CID11232816
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)[C@@H]1CNC[C@H]2C1
InChIInChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2/t8-,9+
InChIKeyCOMHUAMOJSTCMM-DTORHVGOSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene 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

CID 11498153
CID 11498153
CID 17390008
CID 17390008
CID 69873
CID 69873
CID 1400243
CID 1400243
CID 107207
CID 107207
CID 10679213
CID 10679213
CID 9816020
CID 9816020
CID 9881718
CID 9881718
CID 10130346
CID 10130346
CID 10154344
CID 10154344
CID 2870942
CID 2870942
CID 21936956
CID 21936956

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of (1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (CID 11232816) is (1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for (1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for (1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene is c1ccc2c(c1)[C@@H]1CNC[C@H]2C1.
What is the InChIKey of (1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The InChIKey is COMHUAMOJSTCMM-DTORHVGOSA-N. The full InChI is InChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2/t8-,9+.
What are the key properties of (1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene has a molecular weight of 159.23 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 11232816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).