(1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene

C14H10N2 — CID 137187432

IUPAC(1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=N\C=c2\cccc\c2=c2/cccc/c2=N/1
InChIInChI=1S/C14H10N2/c1-2-6-12-11(5-1)9-15-10-16-14-8-4-3-7-13(12)14/h1-10H/b11-9-,13-12-,15-9-,15-10-,16-10-,16-14-
InChIKeyPSBBPFQDJAZKFP-JVYBUECESA-N
MW206.25 g/mol
LogP1.37
Rot. Bonds

About (1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene

(1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 137187432) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name(1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID137187432
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name(1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=N\C=c2\cccc\c2=c2/cccc/c2=N/1
InChIInChI=1S/C14H10N2/c1-2-6-12-11(5-1)9-15-10-16-14-8-4-3-7-13(12)14/h1-10H/b11-9-,13-12-,15-9-,15-10-,16-10-,16-14-
InChIKeyPSBBPFQDJAZKFP-JVYBUECESA-N
XLogP1.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of (1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (CID 137187432) is (1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for (1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for (1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is C1=N\C=c2\cccc\c2=c2/cccc/c2=N/1.
What is the InChIKey of (1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is PSBBPFQDJAZKFP-JVYBUECESA-N. The full InChI is InChI=1S/C14H10N2/c1-2-6-12-11(5-1)9-15-10-16-14-8-4-3-7-13(12)14/h1-10H/b11-9-,13-12-,15-9-,15-10-,16-10-,16-14-.
What are the key properties of (1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
(1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 206.25 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,11Z)-8,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 137187432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).