4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene

C10H11N — CID 15498114

IUPAC4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
SMILESc1cc2c3c(c1)CCN3CC2
InChIInChI=1S/C10H11N/c1-2-8-4-6-11-7-5-9(3-1)10(8)11/h1-3H,4-7H2
InChIKeyNNPDYSRXPOFUPW-UHFFFAOYSA-N
MW145.21 g/mol
LogP1.61
Rot. Bonds

About 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene

4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene (PubChem CID 15498114) has the molecular formula C10H11N and a molecular weight of 145.21 g/mol. Its IUPAC name is 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene.

Molecular Properties

Compound Name4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
PubChem CID15498114
Molecular FormulaC10H11N
Molecular Weight145.21 g/mol
Exact Mass145.09
IUPAC Name4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
SMILESc1cc2c3c(c1)CCN3CC2
InChIInChI=1S/C10H11N/c1-2-8-4-6-11-7-5-9(3-1)10(8)11/h1-3H,4-7H2
InChIKeyNNPDYSRXPOFUPW-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene 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 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene?
The IUPAC name of 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene (CID 15498114) is 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene.
What is the SMILES notation for 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene?
The canonical SMILES for 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene is c1cc2c3c(c1)CCN3CC2.
What is the InChIKey of 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene?
The InChIKey is NNPDYSRXPOFUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-8-4-6-11-7-5-9(3-1)10(8)11/h1-3H,4-7H2.
What are the key properties of 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene?
4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene has a molecular weight of 145.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene is sourced from PubChem (CID 15498114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).