(1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene

C15H13N — CID 91001318

IUPAC(1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene
SMILESC1=C/C2=c3\ccccc3=CC/C=N\C2C=C1
InChIInChI=1S/C15H13N/c1-2-8-13-12(6-1)7-5-11-16-15-10-4-3-9-14(13)15/h1-4,6-11,15H,5H2/b12-7?,14-13-,16-11-
InChIKeyHALIPYJVNOAIBG-GWQFUYAHSA-N
MW207.28 g/mol
LogP1.59
Rot. Bonds

About (1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene

(1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene (PubChem CID 91001318) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is (1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene.

Molecular Properties

Compound Name(1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene
PubChem CID91001318
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name(1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene
SMILESC1=C/C2=c3\ccccc3=CC/C=N\C2C=C1
InChIInChI=1S/C15H13N/c1-2-8-13-12(6-1)7-5-11-16-15-10-4-3-9-14(13)15/h1-4,6-11,15H,5H2/b12-7?,14-13-,16-11-
InChIKeyHALIPYJVNOAIBG-GWQFUYAHSA-N
XLogP1.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene?
The IUPAC name of (1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene (CID 91001318) is (1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene.
What is the SMILES notation for (1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene?
The canonical SMILES for (1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene is C1=C/C2=c3\ccccc3=CC/C=N\C2C=C1.
What is the InChIKey of (1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene?
The InChIKey is HALIPYJVNOAIBG-GWQFUYAHSA-N. The full InChI is InChI=1S/C15H13N/c1-2-8-13-12(6-1)7-5-11-16-15-10-4-3-9-14(13)15/h1-4,6-11,15H,5H2/b12-7?,14-13-,16-11-.
What are the key properties of (1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene?
(1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene has a molecular weight of 207.28 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,8,11,13,15-heptaene is sourced from PubChem (CID 91001318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).