8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene

C11H13N2+ — CID 58669499

IUPAC8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene
SMILESC1=CC2=C(C1)C[N+]1=CCC=C1CN2
InChIInChI=1S/C11H13N2/c1-3-9-8-13-6-2-4-10(13)7-12-11(9)5-1/h1,4-6,12H,2-3,7-8H2/q+1
InChIKeyFZOWBCUGBBYNJV-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.17
Rot. Bonds

About 8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene

8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene (PubChem CID 58669499) has the molecular formula C11H13N2+ and a molecular weight of 173.24 g/mol. Its IUPAC name is 8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene.

Molecular Properties

Compound Name8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene
PubChem CID58669499
Molecular FormulaC11H13N2+
Molecular Weight173.24 g/mol
Exact Mass173.11
IUPAC Name8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene
SMILESC1=CC2=C(C1)C[N+]1=CCC=C1CN2
InChIInChI=1S/C11H13N2/c1-3-9-8-13-6-2-4-10(13)7-12-11(9)5-1/h1,4-6,12H,2-3,7-8H2/q+1
InChIKeyFZOWBCUGBBYNJV-UHFFFAOYSA-N
XLogP1.17
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dihydropyrrolo[3,2-c]azepine
CID 129861020
1,7-Dihydropyrrolo[3,2-c]azepine
CID 56997363
1,5-Dihydropyrrolo[2,3-c]azepine
CID 57325040
1,5,8,8a-Tetrahydropyrrolo[2,3-c]azepine
CID 58443044
3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
CID 123695228
1,2,3,5-Tetrahydropyrrolo[2,3-c]azepine
CID 142155634
6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
CID 143453446
1,2,3,6-Tetrahydropyrrolo[3,2-c]azepine
CID 146247764
N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine
CID 170118022
1,2,5,8-Tetrahydro-1,7-naphthyridine
CID 173072137
1,2,5,8-Tetrahydro-1,7-naphthyridin-7-ium
CID 173072310

Frequently Asked Questions

What is the IUPAC name of 8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene?
The IUPAC name of 8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene (CID 58669499) is 8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene.
What is the SMILES notation for 8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene?
The canonical SMILES for 8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene is C1=CC2=C(C1)C[N+]1=CCC=C1CN2.
What is the InChIKey of 8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene?
The InChIKey is FZOWBCUGBBYNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2/c1-3-9-8-13-6-2-4-10(13)7-12-11(9)5-1/h1,4-6,12H,2-3,7-8H2/q+1.
What are the key properties of 8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene?
8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene has a molecular weight of 173.24 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene is sourced from PubChem (CID 58669499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).