11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene

C14H13NO2 — CID 46227478

IUPAC11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene
SMILESCOc1cc2c3c(nc(C)cc3c1)C=C(C)O2
InChIInChI=1S/C14H13NO2/c1-8-4-10-6-11(16-3)7-13-14(10)12(15-8)5-9(2)17-13/h4-7H,1-3H3
InChIKeyDNEYAPWOPSUTSF-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.31
Rot. Bonds1

About 11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene

11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene (PubChem CID 46227478) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene.

Molecular Properties

Compound Name11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene
PubChem CID46227478
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene
SMILESCOc1cc2c3c(nc(C)cc3c1)C=C(C)O2
InChIInChI=1S/C14H13NO2/c1-8-4-10-6-11(16-3)7-13-14(10)12(15-8)5-9(2)17-13/h4-7H,1-3H3
InChIKeyDNEYAPWOPSUTSF-UHFFFAOYSA-N
XLogP3.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene?
The IUPAC name of 11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene (CID 46227478) is 11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene.
What is the SMILES notation for 11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene?
The canonical SMILES for 11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene is COc1cc2c3c(nc(C)cc3c1)C=C(C)O2.
What is the InChIKey of 11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene?
The InChIKey is DNEYAPWOPSUTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-8-4-10-6-11(16-3)7-13-14(10)12(15-8)5-9(2)17-13/h4-7H,1-3H3.
What are the key properties of 11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene?
11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene has a molecular weight of 227.26 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene is sourced from PubChem (CID 46227478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).