1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene

C12H15N — CID 54382336

IUPAC1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene
SMILESC1=CC2=C3C(C1)CCCN3CC=C2
InChIInChI=1S/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1-2,4,6,11H,3,5,7-9H2
InChIKeyVAUHBNZFMILJID-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.48
Rot. Bonds

About 1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene

1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene (PubChem CID 54382336) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene.

Molecular Properties

Compound Name1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene
PubChem CID54382336
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene
SMILESC1=CC2=C3C(C1)CCCN3CC=C2
InChIInChI=1S/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1-2,4,6,11H,3,5,7-9H2
InChIKeyVAUHBNZFMILJID-UHFFFAOYSA-N
XLogP2.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.48
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-3,5(13),6-triene?
The IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene (CID 54382336) is 1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene.
What is the SMILES notation for 1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene?
The canonical SMILES for 1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene is C1=CC2=C3C(C1)CCCN3CC=C2.
What is the InChIKey of 1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene?
The InChIKey is VAUHBNZFMILJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1-2,4,6,11H,3,5,7-9H2.
What are the key properties of 1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene?
1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene has a molecular weight of 173.26 g/mol, XLogP of 2.48, 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-3,5(13),6-triene is sourced from PubChem (CID 54382336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).