3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene

C10H7N — CID 67825781

IUPAC3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene
SMILESc1ccc2c(c1)-c1cc[nH]c1-2
InChIInChI=1S/C10H7N/c1-2-4-8-7(3-1)9-5-6-11-10(8)9/h1-6,11H
InChIKeyIGGOTCIVCKFXMA-UHFFFAOYSA-N
MW141.17 g/mol
LogP2.66
Rot. Bonds

About 3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene

3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene (PubChem CID 67825781) has the molecular formula C10H7N and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene.

Molecular Properties

Compound Name3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene
PubChem CID67825781
Molecular FormulaC10H7N
Molecular Weight141.17 g/mol
Exact Mass141.06
IUPAC Name3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene
SMILESc1ccc2c(c1)-c1cc[nH]c1-2
InChIInChI=1S/C10H7N/c1-2-4-8-7(3-1)9-5-6-11-10(8)9/h1-6,11H
InChIKeyIGGOTCIVCKFXMA-UHFFFAOYSA-N
XLogP2.66
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene?
The IUPAC name of 3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene (CID 67825781) is 3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene.
What is the SMILES notation for 3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene?
The canonical SMILES for 3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene is c1ccc2c(c1)-c1cc[nH]c1-2.
What is the InChIKey of 3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene?
The InChIKey is IGGOTCIVCKFXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N/c1-2-4-8-7(3-1)9-5-6-11-10(8)9/h1-6,11H.
What are the key properties of 3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene?
3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene has a molecular weight of 141.17 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene is sourced from PubChem (CID 67825781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).