2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene

C10H7N — CID 135121977

IUPAC2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene
SMILESC1=Cc2cccc3c2=C1CN=3
InChIInChI=1S/C10H7N/c1-2-7-4-5-8-6-11-9(3-1)10(7)8/h1-5H,6H2
InChIKeyRGEXCZCAMVYLBE-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.50
Rot. Bonds

About 2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene

2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene (PubChem CID 135121977) has the molecular formula C10H7N and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene.

Molecular Properties

Compound Name2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene
PubChem CID135121977
Molecular FormulaC10H7N
Molecular Weight141.17 g/mol
Exact Mass141.06
IUPAC Name2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene
SMILESC1=Cc2cccc3c2=C1CN=3
InChIInChI=1S/C10H7N/c1-2-7-4-5-8-6-11-9(3-1)10(7)8/h1-5H,6H2
InChIKeyRGEXCZCAMVYLBE-UHFFFAOYSA-N
XLogP0.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene?
The IUPAC name of 2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene (CID 135121977) is 2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene.
What is the SMILES notation for 2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene?
The canonical SMILES for 2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene is C1=Cc2cccc3c2=C1CN=3.
What is the InChIKey of 2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene?
The InChIKey is RGEXCZCAMVYLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N/c1-2-7-4-5-8-6-11-9(3-1)10(7)8/h1-5H,6H2.
What are the key properties of 2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene?
2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene has a molecular weight of 141.17 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[5.3.1.04,11]undeca-1,4(11),5,7,9-pentaene is sourced from PubChem (CID 135121977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).