18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide

C19H11N2O+ — CID 91183657

IUPAC18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide
SMILESO=[N+]1C=NC=c2ccc3ccc4c(c3c21)=Cc1ccccc1-4
InChIInChI=1S/C19H11N2O/c22-21-11-20-10-14-6-5-12-7-8-16-15-4-2-1-3-13(15)9-17(16)18(12)19(14)21/h1-11H/q+1
InChIKeyBPPXOFRGKMRBGP-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.84
Rot. Bonds

About 18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide

18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide (PubChem CID 91183657) has the molecular formula C19H11N2O+ and a molecular weight of 283.31 g/mol. Its IUPAC name is 18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide.

Molecular Properties

Compound Name18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide
PubChem CID91183657
Molecular FormulaC19H11N2O+
Molecular Weight283.31 g/mol
Exact Mass283.09
IUPAC Name18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide
SMILESO=[N+]1C=NC=c2ccc3ccc4c(c3c21)=Cc1ccccc1-4
InChIInChI=1S/C19H11N2O/c22-21-11-20-10-14-6-5-12-7-8-16-15-4-2-1-3-13(15)9-17(16)18(12)19(14)21/h1-11H/q+1
InChIKeyBPPXOFRGKMRBGP-UHFFFAOYSA-N
XLogP2.84
TPSA32.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide?
The IUPAC name of 18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide (CID 91183657) is 18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide.
What is the SMILES notation for 18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide?
The canonical SMILES for 18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide is O=[N+]1C=NC=c2ccc3ccc4c(c3c21)=Cc1ccccc1-4.
What is the InChIKey of 18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide?
The InChIKey is BPPXOFRGKMRBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N2O/c22-21-11-20-10-14-6-5-12-7-8-16-15-4-2-1-3-13(15)9-17(16)18(12)19(14)21/h1-11H/q+1.
What are the key properties of 18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide?
18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide has a molecular weight of 283.31 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-aza-20-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene 20-oxide is sourced from PubChem (CID 91183657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).