7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol

C14H18N2O+2 — CID 69129683

IUPAC7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol
SMILESCCO.c1cc[n+]2c(c1)-c1cccc[n+]1CC2
InChIInChI=1S/C12H12N2.C2H6O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;1-2-3/h1-8H,9-10H2;3H,2H2,1H3/q+2;
InChIKeyOYTOXDGGHQALGQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.94
Rot. Bonds

About 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol

7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol (PubChem CID 69129683) has the molecular formula C14H18N2O+2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol.

Molecular Properties

Compound Name7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol
PubChem CID69129683
Molecular FormulaC14H18N2O+2
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol
SMILESCCO.c1cc[n+]2c(c1)-c1cccc[n+]1CC2
InChIInChI=1S/C12H12N2.C2H6O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;1-2-3/h1-8H,9-10H2;3H,2H2,1H3/q+2;
InChIKeyOYTOXDGGHQALGQ-UHFFFAOYSA-N
XLogP0.94
TPSA27.99 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,4-diazabicyclo[2.2.2]octane;7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
CID 67820954
3,4-dihydro-2H-quinolizin-5-ium-1-one
CID 820891
ethanol;naphthalene
CID 91408804
7,9-dibromo-6H-pyrido[1,2-a]azepin-5-ium-10-ol
CID 12955661
1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium
CID 2733932
benzene-1,2-diol;ethanol;hydroxylamine
CID 70173315
16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene
CID 70591840
2-(iminomethylidene)-3,4-dihydroquinolizin-5-ium-1-one
CID 135510702
6-[1-(2,3-dihydroindolizin-4-ium-1-ylidene)ethyl]-1,2,3,4-tetrahydroquinoline bromide
CID 68833057
azane;ethanol;toluene
CID 131739211
anthracene;ethanol;titanium
CID 160763576
aniline;ethanol
CID 22137766

Frequently Asked Questions

What is the IUPAC name of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol?
The IUPAC name of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol (CID 69129683) is 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol.
What is the SMILES notation for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol?
The canonical SMILES for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol is CCO.c1cc[n+]2c(c1)-c1cccc[n+]1CC2.
What is the InChIKey of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol?
The InChIKey is OYTOXDGGHQALGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C2H6O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;1-2-3/h1-8H,9-10H2;3H,2H2,1H3/q+2;.
What are the key properties of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol?
7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol has a molecular weight of 230.31 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;ethanol is sourced from PubChem (CID 69129683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).