2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene

C10H11N — CID 91051298

IUPAC2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene
SMILESC1=CCN2C(=C1)C1C=CC2C1
InChIInChI=1S/C10H11N/c1-2-6-11-9-5-4-8(7-9)10(11)3-1/h1-5,8-9H,6-7H2
InChIKeyITZMWZALCLXJQJ-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.70
Rot. Bonds

About 2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene

2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene (PubChem CID 91051298) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene.

Molecular Properties

Compound Name2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene
PubChem CID91051298
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene
SMILESC1=CCN2C(=C1)C1C=CC2C1
InChIInChI=1S/C10H11N/c1-2-6-11-9-5-4-8(7-9)10(11)3-1/h1-5,8-9H,6-7H2
InChIKeyITZMWZALCLXJQJ-UHFFFAOYSA-N
XLogP1.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 129798269
3a,4,4a,5-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 91296247
Ethynyltetrahydroindole
CID 129755421
2-Azabicyclo[2.2.1]hept-5-ene, 2-(1-methylethyl)-
CID 12163226
2-Propyl-2-azabicyclo[2.2.1]hept-5-ene
CID 19854921
2-Ethyl-2-azabicyclo[2.2.1]hept-5-ene
CID 19854922
1,9a,10,10a-Tetrahydropyrido[1,2-a]indole;dihydrochloride
CID 20030074

Frequently Asked Questions

What is the IUPAC name of 2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene?
The IUPAC name of 2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene (CID 91051298) is 2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene.
What is the SMILES notation for 2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene?
The canonical SMILES for 2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene is C1=CCN2C(=C1)C1C=CC2C1.
What is the InChIKey of 2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene?
The InChIKey is ITZMWZALCLXJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-6-11-9-5-4-8(7-9)10(11)3-1/h1-5,8-9H,6-7H2.
What are the key properties of 2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene?
2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene has a molecular weight of 145.20 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[6.2.1.02,7]undeca-4,6,9-triene is sourced from PubChem (CID 91051298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).