1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene

C12H11N — CID 18981576

IUPAC1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene
SMILESC1=CN2CC=CC3=C2C(=C1)CC=C3
InChIInChI=1S/C12H11N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1-4,6-7,9H,5,8H2
InChIKeyOHXSADILTLRETG-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.53
Rot. Bonds

About 1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene

1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene (PubChem CID 18981576) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene.

Molecular Properties

Compound Name1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene
PubChem CID18981576
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene
SMILESC1=CN2CC=CC3=C2C(=C1)CC=C3
InChIInChI=1S/C12H11N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1-4,6-7,9H,5,8H2
InChIKeyOHXSADILTLRETG-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene?
The IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene (CID 18981576) is 1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene.
What is the SMILES notation for 1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene?
The canonical SMILES for 1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene is C1=CN2CC=CC3=C2C(=C1)CC=C3.
What is the InChIKey of 1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene?
The InChIKey is OHXSADILTLRETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1-4,6-7,9H,5,8H2.
What are the key properties of 1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene?
1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene has a molecular weight of 169.23 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene is sourced from PubChem (CID 18981576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).