1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene

C15H13N — CID 54209851

IUPAC1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene
SMILESC1=CC2=C3C=CC=C4CC=CN(C2C=C1)C43
InChIInChI=1S/C15H13N/c1-2-9-14-12(7-1)13-8-3-5-11-6-4-10-16(14)15(11)13/h1-5,7-10,14-15H,6H2
InChIKeyPVELHRFRFVUNPC-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.88
Rot. Bonds

About 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene

1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene (PubChem CID 54209851) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene.

Molecular Properties

Compound Name1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene
PubChem CID54209851
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene
SMILESC1=CC2=C3C=CC=C4CC=CN(C2C=C1)C43
InChIInChI=1S/C15H13N/c1-2-9-14-12(7-1)13-8-3-5-11-6-4-10-16(14)15(11)13/h1-5,7-10,14-15H,6H2
InChIKeyPVELHRFRFVUNPC-UHFFFAOYSA-N
XLogP2.88
TPSA3.24 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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene?
The IUPAC name of 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene (CID 54209851) is 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene.
What is the SMILES notation for 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene?
The canonical SMILES for 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene is C1=CC2=C3C=CC=C4CC=CN(C2C=C1)C43.
What is the InChIKey of 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene?
The InChIKey is PVELHRFRFVUNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-2-9-14-12(7-1)13-8-3-5-11-6-4-10-16(14)15(11)13/h1-5,7-10,14-15H,6H2.
What are the key properties of 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene?
1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene has a molecular weight of 207.28 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene is sourced from PubChem (CID 54209851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).