11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride

C12H16ClNO — CID 18415758

IUPAC11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride
SMILESCl.Oc1ccc2c(c1)CC1CNCC2C1
InChIInChI=1S/C12H15NO.ClH/c14-11-1-2-12-9(5-11)3-8-4-10(12)7-13-6-8;/h1-2,5,8,10,13-14H,3-4,6-7H2;1H
InChIKeyNYEWXMYWPMOZJS-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.06
Rot. Bonds

About 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride

11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride (PubChem CID 18415758) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride.

Molecular Properties

Compound Name11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride
PubChem CID18415758
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride
SMILESCl.Oc1ccc2c(c1)CC1CNCC2C1
InChIInChI=1S/C12H15NO.ClH/c14-11-1-2-12-9(5-11)3-8-4-10(12)7-13-6-8;/h1-2,5,8,10,13-14H,3-4,6-7H2;1H
InChIKeyNYEWXMYWPMOZJS-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride?
The IUPAC name of 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride (CID 18415758) is 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride.
What is the SMILES notation for 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride?
The canonical SMILES for 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride is Cl.Oc1ccc2c(c1)CC1CNCC2C1.
What is the InChIKey of 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride?
The InChIKey is NYEWXMYWPMOZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c14-11-1-2-12-9(5-11)3-8-4-10(12)7-13-6-8;/h1-2,5,8,10,13-14H,3-4,6-7H2;1H.
What are the key properties of 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride?
11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride is sourced from PubChem (CID 18415758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).