3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene

C13H13N — CID 141441485

IUPAC3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene
SMILESC1=CC2CCCc3ccccc3C2=N1
InChIInChI=1S/C13H13N/c1-2-7-12-10(4-1)5-3-6-11-8-9-14-13(11)12/h1-2,4,7-9,11H,3,5-6H2
InChIKeyGLUYGQCDTSNWTD-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.96
Rot. Bonds

About 3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene

3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene (PubChem CID 141441485) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene.

Molecular Properties

Compound Name3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene
PubChem CID141441485
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene
SMILESC1=CC2CCCc3ccccc3C2=N1
InChIInChI=1S/C13H13N/c1-2-7-12-10(4-1)5-3-6-11-8-9-14-13(11)12/h1-2,4,7-9,11H,3,5-6H2
InChIKeyGLUYGQCDTSNWTD-UHFFFAOYSA-N
XLogP2.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6-deuterio-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 11105878
6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 79428260
8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
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9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
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Frequently Asked Questions

What is the IUPAC name of 3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene?
The IUPAC name of 3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene (CID 141441485) is 3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene.
What is the SMILES notation for 3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene?
The canonical SMILES for 3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene is C1=CC2CCCc3ccccc3C2=N1.
What is the InChIKey of 3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene?
The InChIKey is GLUYGQCDTSNWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-2-7-12-10(4-1)5-3-6-11-8-9-14-13(11)12/h1-2,4,7-9,11H,3,5-6H2.
What are the key properties of 3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene?
3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene has a molecular weight of 183.25 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene is sourced from PubChem (CID 141441485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).