16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene

C17H14N+ — CID 86735953

IUPAC16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene
SMILESCc1cc2[n+](c3c1=CC=C3)CC=c1ccccc1=2
InChIInChI=1S/C17H14N/c1-12-11-17-15-6-3-2-5-13(15)9-10-18(17)16-8-4-7-14(12)16/h2-9,11H,10H2,1H3/q+1
InChIKeyKNPJZSXNWTVTPL-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.17
Rot. Bonds

About 16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene

16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene (PubChem CID 86735953) has the molecular formula C17H14N+ and a molecular weight of 232.31 g/mol. Its IUPAC name is 16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene.

Molecular Properties

Compound Name16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene
PubChem CID86735953
Molecular FormulaC17H14N+
Molecular Weight232.31 g/mol
Exact Mass232.11
IUPAC Name16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene
SMILESCc1cc2[n+](c3c1=CC=C3)CC=c1ccccc1=2
InChIInChI=1S/C17H14N/c1-12-11-17-15-6-3-2-5-13(15)9-10-18(17)16-8-4-7-14(12)16/h2-9,11H,10H2,1H3/q+1
InChIKeyKNPJZSXNWTVTPL-UHFFFAOYSA-N
XLogP1.17
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene?
The IUPAC name of 16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene (CID 86735953) is 16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene.
What is the SMILES notation for 16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene?
The canonical SMILES for 16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene is Cc1cc2[n+](c3c1=CC=C3)CC=c1ccccc1=2.
What is the InChIKey of 16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene?
The InChIKey is KNPJZSXNWTVTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N/c1-12-11-17-15-6-3-2-5-13(15)9-10-18(17)16-8-4-7-14(12)16/h2-9,11H,10H2,1H3/q+1.
What are the key properties of 16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene?
16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene has a molecular weight of 232.31 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene is sourced from PubChem (CID 86735953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).