2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene

C10H9N2+ — CID 58722687

IUPAC2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
SMILESc1cc[n+]2c(c1)-n1cccc1C2
InChIInChI=1S/C10H9N2/c1-2-6-11-8-9-4-3-7-12(9)10(11)5-1/h1-7H,8H2/q+1
InChIKeyNCFQTLKIXCFHPY-UHFFFAOYSA-N
MW157.20 g/mol
LogP1.13
Rot. Bonds

About 2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene

2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene (PubChem CID 58722687) has the molecular formula C10H9N2+ and a molecular weight of 157.20 g/mol. Its IUPAC name is 2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene.

Molecular Properties

Compound Name2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
PubChem CID58722687
Molecular FormulaC10H9N2+
Molecular Weight157.20 g/mol
Exact Mass157.08
IUPAC Name2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
SMILESc1cc[n+]2c(c1)-n1cccc1C2
InChIInChI=1S/C10H9N2/c1-2-6-11-8-9-4-3-7-12(9)10(11)5-1/h1-7H,8H2/q+1
InChIKeyNCFQTLKIXCFHPY-UHFFFAOYSA-N
XLogP1.13
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene
CID 58722713
1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium
CID 159530552
1-(2,2,2-trifluoroethyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-one chloride
CID 146547618
1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one
CID 125114801
2,3-dihydro-1H-indolizin-4-ium iodide
CID 14617556
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
2-ethenyl-3H-indolizin-4-ium
CID 58720826
4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepine
CID 12691719
1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene
CID 57357847
2-methyl-12-aza-2,6-diazoniatetracyclo[8.2.1.04,12.06,11]trideca-1,3,6,8,10-pentaene
CID 159004332
CID 102062819
CID 102062819
(2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 854640

Frequently Asked Questions

What is the IUPAC name of 2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene?
The IUPAC name of 2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene (CID 58722687) is 2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene.
What is the SMILES notation for 2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene?
The canonical SMILES for 2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene is c1cc[n+]2c(c1)-n1cccc1C2.
What is the InChIKey of 2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene?
The InChIKey is NCFQTLKIXCFHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2/c1-2-6-11-8-9-4-3-7-12(9)10(11)5-1/h1-7H,8H2/q+1.
What are the key properties of 2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene?
2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene has a molecular weight of 157.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene is sourced from PubChem (CID 58722687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).