4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride

C12H16ClNO — CID 175798185

IUPAC4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride
SMILESCl.c1cc2c3c(c1)OCCC3CNCC2
InChIInChI=1S/C12H15NO.ClH/c1-2-9-4-6-13-8-10-5-7-14-11(3-1)12(9)10;/h1-3,10,13H,4-8H2;1H
InChIKeyAZZLYEZSGCWEKS-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.12
Rot. Bonds

About 4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride

4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride (PubChem CID 175798185) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride.

Molecular Properties

Compound Name4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride
PubChem CID175798185
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride
SMILESCl.c1cc2c3c(c1)OCCC3CNCC2
InChIInChI=1S/C12H15NO.ClH/c1-2-9-4-6-13-8-10-5-7-14-11(3-1)12(9)10;/h1-3,10,13H,4-8H2;1H
InChIKeyAZZLYEZSGCWEKS-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride?
The IUPAC name of 4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride (CID 175798185) is 4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride.
What is the SMILES notation for 4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride?
The canonical SMILES for 4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride is Cl.c1cc2c3c(c1)OCCC3CNCC2.
What is the InChIKey of 4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride?
The InChIKey is AZZLYEZSGCWEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c1-2-9-4-6-13-8-10-5-7-14-11(3-1)12(9)10;/h1-3,10,13H,4-8H2;1H.
What are the key properties of 4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride?
4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-12-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;hydrochloride is sourced from PubChem (CID 175798185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).