14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene

C14H13NO2 — CID 89139683

IUPAC14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene
SMILESCOc1ccc2c(c1)=C1NCCOC1=CC=C=2
InChIInChI=1S/C14H13NO2/c1-16-11-6-5-10-3-2-4-13-14(12(10)9-11)15-7-8-17-13/h2,4-6,9,15H,7-8H2,1H3
InChIKeyLBXFGVYXTDCOEK-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.26
Rot. Bonds1

About 14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene

14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene (PubChem CID 89139683) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene.

Molecular Properties

Compound Name14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene
PubChem CID89139683
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene
SMILESCOc1ccc2c(c1)=C1NCCOC1=CC=C=2
InChIInChI=1S/C14H13NO2/c1-16-11-6-5-10-3-2-4-13-14(12(10)9-11)15-7-8-17-13/h2,4-6,9,15H,7-8H2,1H3
InChIKeyLBXFGVYXTDCOEK-UHFFFAOYSA-N
XLogP0.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene?
The IUPAC name of 14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene (CID 89139683) is 14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene.
What is the SMILES notation for 14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene?
The canonical SMILES for 14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene is COc1ccc2c(c1)=C1NCCOC1=CC=C=2.
What is the InChIKey of 14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene?
The InChIKey is LBXFGVYXTDCOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-16-11-6-5-10-3-2-4-13-14(12(10)9-11)15-7-8-17-13/h2,4-6,9,15H,7-8H2,1H3.
What are the key properties of 14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene?
14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene has a molecular weight of 227.26 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene is sourced from PubChem (CID 89139683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).