2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride

C17H20ClNO — CID 20509358

IUPAC2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride
SMILESCl.c1ccc2c(c1)CCCNCCc1ccccc1O2
InChIInChI=1S/C17H19NO.ClH/c1-3-9-16-14(6-1)8-5-12-18-13-11-15-7-2-4-10-17(15)19-16;/h1-4,6-7,9-10,18H,5,8,11-13H2;1H
InChIKeyFYBINXZHWGSXPC-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.98
Rot. Bonds

About 2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride

2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride (PubChem CID 20509358) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride.

Molecular Properties

Compound Name2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride
PubChem CID20509358
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride
SMILESCl.c1ccc2c(c1)CCCNCCc1ccccc1O2
InChIInChI=1S/C17H19NO.ClH/c1-3-9-16-14(6-1)8-5-12-18-13-11-15-7-2-4-10-17(15)19-16;/h1-4,6-7,9-10,18H,5,8,11-13H2;1H
InChIKeyFYBINXZHWGSXPC-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride?
The IUPAC name of 2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride (CID 20509358) is 2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride.
What is the SMILES notation for 2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride?
The canonical SMILES for 2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride is Cl.c1ccc2c(c1)CCCNCCc1ccccc1O2.
What is the InChIKey of 2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride?
The InChIKey is FYBINXZHWGSXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-3-9-16-14(6-1)8-5-12-18-13-11-15-7-2-4-10-17(15)19-16;/h1-4,6-7,9-10,18H,5,8,11-13H2;1H.
What are the key properties of 2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride?
2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 3.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride is sourced from PubChem (CID 20509358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).