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

C16H14N2 — CID 134989464

IUPAC(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESCC1=C(C)/N=c2/cccc/c2=c2\cccc\c2=N\1
InChIInChI=1S/C16H14N2/c1-11-12(2)18-16-10-6-4-8-14(16)13-7-3-5-9-15(13)17-11/h3-10H,1-2H3/b12-11-,14-13-,17-11-,17-15-,18-12-,18-16-
InChIKeyRPAZIPYAVCGKAZ-YOTKPBTJSA-N
MW234.30 g/mol
LogP2.48
Rot. Bonds

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

(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 134989464) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID134989464
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESCC1=C(C)/N=c2/cccc/c2=c2\cccc\c2=N\1
InChIInChI=1S/C16H14N2/c1-11-12(2)18-16-10-6-4-8-14(16)13-7-3-5-9-15(13)17-11/h3-10H,1-2H3/b12-11-,14-13-,17-11-,17-15-,18-12-,18-16-
InChIKeyRPAZIPYAVCGKAZ-YOTKPBTJSA-N
XLogP2.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (CID 134989464) is (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is CC1=C(C)/N=c2/cccc/c2=c2\cccc\c2=N\1.
What is the InChIKey of (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is RPAZIPYAVCGKAZ-YOTKPBTJSA-N. The full InChI is InChI=1S/C16H14N2/c1-11-12(2)18-16-10-6-4-8-14(16)13-7-3-5-9-15(13)17-11/h3-10H,1-2H3/b12-11-,14-13-,17-11-,17-15-,18-12-,18-16-.
What are the key properties of (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 234.30 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 134989464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).