5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene

C17H19N2O+ — CID 5254946

IUPAC5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
SMILESCN1CC[NH+]2c3ccccc3Oc3ccccc3C2C1
InChIInChI=1S/C17H18N2O/c1-18-10-11-19-14-7-3-5-9-17(14)20-16-8-4-2-6-13(16)15(19)12-18/h2-9,15H,10-12H2,1H3/p+1
InChIKeyFLKMYURXUSKAMN-UHFFFAOYSA-O
MW267.35 g/mol
LogP2.00
Rot. Bonds

About 5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene

5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene (PubChem CID 5254946) has the molecular formula C17H19N2O+ and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene.

Molecular Properties

Compound Name5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
PubChem CID5254946
Molecular FormulaC17H19N2O+
Molecular Weight267.35 g/mol
Exact Mass267.15
IUPAC Name5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
SMILESCN1CC[NH+]2c3ccccc3Oc3ccccc3C2C1
InChIInChI=1S/C17H18N2O/c1-18-10-11-19-14-7-3-5-9-17(14)20-16-8-4-2-6-13(16)15(19)12-18/h2-9,15H,10-12H2,1H3/p+1
InChIKeyFLKMYURXUSKAMN-UHFFFAOYSA-O
XLogP2.00
TPSA16.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene?
The IUPAC name of 5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene (CID 5254946) is 5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene.
What is the SMILES notation for 5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene?
The canonical SMILES for 5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene is CN1CC[NH+]2c3ccccc3Oc3ccccc3C2C1.
What is the InChIKey of 5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene?
The InChIKey is FLKMYURXUSKAMN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18N2O/c1-18-10-11-19-14-7-3-5-9-17(14)20-16-8-4-2-6-13(16)15(19)12-18/h2-9,15H,10-12H2,1H3/p+1.
What are the key properties of 5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene?
5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene has a molecular weight of 267.35 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-14-oxa-5-aza-2-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene is sourced from PubChem (CID 5254946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).