10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene

C12H15N — CID 54134840

IUPAC10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene
SMILESC1=CC2CC3=NCCC(C3)C2C=C1
InChIInChI=1S/C12H15N/c1-2-4-12-9(3-1)7-11-8-10(12)5-6-13-11/h1-4,9-10,12H,5-8H2
InChIKeyNWYDTJIKHHIOBG-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.60
Rot. Bonds

About 10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene

10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene (PubChem CID 54134840) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene.

Molecular Properties

Compound Name10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene
PubChem CID54134840
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene
SMILESC1=CC2CC3=NCCC(C3)C2C=C1
InChIInChI=1S/C12H15N/c1-2-4-12-9(3-1)7-11-8-10(12)5-6-13-11/h1-4,9-10,12H,5-8H2
InChIKeyNWYDTJIKHHIOBG-UHFFFAOYSA-N
XLogP2.60
TPSA12.36 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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene?
The IUPAC name of 10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene (CID 54134840) is 10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene.
What is the SMILES notation for 10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene?
The canonical SMILES for 10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene is C1=CC2CC3=NCCC(C3)C2C=C1.
What is the InChIKey of 10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene?
The InChIKey is NWYDTJIKHHIOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-4-12-9(3-1)7-11-8-10(12)5-6-13-11/h1-4,9-10,12H,5-8H2.
What are the key properties of 10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene?
10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene has a molecular weight of 173.26 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatricyclo[7.3.1.02,7]trideca-3,5,9-triene is sourced from PubChem (CID 54134840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).