5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene

C18H15N2O+ — CID 160680233

IUPAC5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene
SMILESCC1c2cc3c(cc2-c2n1cc[n+]2C)oc1ccccc13
InChIInChI=1S/C18H15N2O/c1-11-13-9-14-12-5-3-4-6-16(12)21-17(14)10-15(13)18-19(2)7-8-20(11)18/h3-11H,1-2H3/q+1
InChIKeyXGICTIVEASMPRW-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.80
Rot. Bonds

About 5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene

5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene (PubChem CID 160680233) has the molecular formula C18H15N2O+ and a molecular weight of 275.33 g/mol. Its IUPAC name is 5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene.

Molecular Properties

Compound Name5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene
PubChem CID160680233
Molecular FormulaC18H15N2O+
Molecular Weight275.33 g/mol
Exact Mass275.12
IUPAC Name5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene
SMILESCC1c2cc3c(cc2-c2n1cc[n+]2C)oc1ccccc13
InChIInChI=1S/C18H15N2O/c1-11-13-9-14-12-5-3-4-6-16(12)21-17(14)10-15(13)18-19(2)7-8-20(11)18/h3-11H,1-2H3/q+1
InChIKeyXGICTIVEASMPRW-UHFFFAOYSA-N
XLogP3.80
TPSA21.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene?
The IUPAC name of 5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene (CID 160680233) is 5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene.
What is the SMILES notation for 5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene?
The canonical SMILES for 5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene is CC1c2cc3c(cc2-c2n1cc[n+]2C)oc1ccccc13.
What is the InChIKey of 5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene?
The InChIKey is XGICTIVEASMPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2O/c1-11-13-9-14-12-5-3-4-6-16(12)21-17(14)10-15(13)18-19(2)7-8-20(11)18/h3-11H,1-2H3/q+1.
What are the key properties of 5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene?
5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene has a molecular weight of 275.33 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-19-oxa-8-aza-5-azoniapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4,6,11,13,15,17-octaene is sourced from PubChem (CID 160680233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).