3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene

C15H13N — CID 88671133

IUPAC3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene
SMILESC1=CC2=C3C=CC4(C=NC=CC24C=C1)CC3
InChIInChI=1S/C15H13N/c1-2-6-15-9-10-16-11-14(15)7-4-12(5-8-14)13(15)3-1/h1-4,6-7,9-11H,5,8H2
InChIKeyLNMYDPQMVOIAGA-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.34
Rot. Bonds

About 3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene

3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene (PubChem CID 88671133) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene.

Molecular Properties

Compound Name3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene
PubChem CID88671133
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene
SMILESC1=CC2=C3C=CC4(C=NC=CC24C=C1)CC3
InChIInChI=1S/C15H13N/c1-2-6-15-9-10-16-11-14(15)7-4-12(5-8-14)13(15)3-1/h1-4,6-7,9-11H,5,8H2
InChIKeyLNMYDPQMVOIAGA-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene?
The IUPAC name of 3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene (CID 88671133) is 3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene.
What is the SMILES notation for 3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene?
The canonical SMILES for 3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene is C1=CC2=C3C=CC4(C=NC=CC24C=C1)CC3.
What is the InChIKey of 3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene?
The InChIKey is LNMYDPQMVOIAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-2-6-15-9-10-16-11-14(15)7-4-12(5-8-14)13(15)3-1/h1-4,6-7,9-11H,5,8H2.
What are the key properties of 3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene?
3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene has a molecular weight of 207.28 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azatetracyclo[10.2.2.01,6.06,11]hexadeca-2,4,7,9,11,13-hexaene is sourced from PubChem (CID 88671133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).