6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene

C15H13N — CID 167682943

IUPAC6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene
SMILESC1=Cc2ccncc2CCc2ccccc21
InChIInChI=1S/C15H13N/c1-2-4-13-7-8-15-11-16-10-9-14(15)6-5-12(13)3-1/h1-6,9-11H,7-8H2
InChIKeyZBDCEIAPHQSASC-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.35
Rot. Bonds

About 6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene

6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene (PubChem CID 167682943) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene.

Molecular Properties

Compound Name6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene
PubChem CID167682943
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene
SMILESC1=Cc2ccncc2CCc2ccccc21
InChIInChI=1S/C15H13N/c1-2-4-13-7-8-15-11-16-10-9-14(15)6-5-12(13)3-1/h1-6,9-11H,7-8H2
InChIKeyZBDCEIAPHQSASC-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene?
The IUPAC name of 6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene (CID 167682943) is 6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene.
What is the SMILES notation for 6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene?
The canonical SMILES for 6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene is C1=Cc2ccncc2CCc2ccccc21.
What is the InChIKey of 6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene?
The InChIKey is ZBDCEIAPHQSASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-2-4-13-7-8-15-11-16-10-9-14(15)6-5-12(13)3-1/h1-6,9-11H,7-8H2.
What are the key properties of 6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene?
6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene has a molecular weight of 207.28 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene is sourced from PubChem (CID 167682943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).