1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene

C23H24N2 — CID 70611238

IUPAC1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene
SMILESC1=CN2CC=Cc3cccc(c32)C1.c1cc2c3c(c1)CCN3CCC2
InChIInChI=1S/C12H11N.C11H13N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13;1-3-9-5-2-7-12-8-6-10(4-1)11(9)12/h1-6,9H,7-8H2;1,3-4H,2,5-8H2
InChIKeyWLPNYYNYTPVBHM-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.58
Rot. Bonds

About 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene

1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene (PubChem CID 70611238) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene.

Molecular Properties

Compound Name1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene
PubChem CID70611238
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene
SMILESC1=CN2CC=Cc3cccc(c32)C1.c1cc2c3c(c1)CCN3CCC2
InChIInChI=1S/C12H11N.C11H13N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13;1-3-9-5-2-7-12-8-6-10(4-1)11(9)12/h1-6,9H,7-8H2;1,3-4H,2,5-8H2
InChIKeyWLPNYYNYTPVBHM-UHFFFAOYSA-N
XLogP4.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene?
The IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene (CID 70611238) is 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene.
What is the SMILES notation for 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene?
The canonical SMILES for 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene is C1=CN2CC=Cc3cccc(c32)C1.c1cc2c3c(c1)CCN3CCC2.
What is the InChIKey of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene?
The InChIKey is WLPNYYNYTPVBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C11H13N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13;1-3-9-5-2-7-12-8-6-10(4-1)11(9)12/h1-6,9H,7-8H2;1,3-4H,2,5-8H2.
What are the key properties of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene?
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene has a molecular weight of 328.46 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene is sourced from PubChem (CID 70611238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).