1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene

C14H11N2+ — CID 58722713

IUPAC1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene
SMILESc1cc[n+]2c(c1)-n1cc3ccccc3c1C2
InChIInChI=1S/C14H11N2/c1-2-6-12-11(5-1)9-16-13(12)10-15-8-4-3-7-14(15)16/h1-9H,10H2/q+1
InChIKeyYFYPHIDEZKBKDP-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.28
Rot. Bonds

About 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene

1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene (PubChem CID 58722713) has the molecular formula C14H11N2+ and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene.

Molecular Properties

Compound Name1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene
PubChem CID58722713
Molecular FormulaC14H11N2+
Molecular Weight207.26 g/mol
Exact Mass207.09
IUPAC Name1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene
SMILESc1cc[n+]2c(c1)-n1cc3ccccc3c1C2
InChIInChI=1S/C14H11N2/c1-2-6-12-11(5-1)9-16-13(12)10-15-8-4-3-7-14(15)16/h1-9H,10H2/q+1
InChIKeyYFYPHIDEZKBKDP-UHFFFAOYSA-N
XLogP2.28
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene?
The IUPAC name of 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene (CID 58722713) is 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene.
What is the SMILES notation for 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene?
The canonical SMILES for 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene is c1cc[n+]2c(c1)-n1cc3ccccc3c1C2.
What is the InChIKey of 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene?
The InChIKey is YFYPHIDEZKBKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N2/c1-2-6-12-11(5-1)9-16-13(12)10-15-8-4-3-7-14(15)16/h1-9H,10H2/q+1.
What are the key properties of 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene?
1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene has a molecular weight of 207.26 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene is sourced from PubChem (CID 58722713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).