10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride

C11H14ClN — CID 10198057

IUPAC10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
SMILESCl.c1ccc2c(c1)C1CNCC2C1
InChIInChI=1S/C11H13N.ClH/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1;/h1-4,8-9,12H,5-7H2;1H
InChIKeyWWJDLIUDQHFAGC-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.28
Rot. Bonds

About 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride

10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride (PubChem CID 10198057) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride.

Molecular Properties

Compound Name10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
PubChem CID10198057
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
SMILESCl.c1ccc2c(c1)C1CNCC2C1
InChIInChI=1S/C11H13N.ClH/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1;/h1-4,8-9,12H,5-7H2;1H
InChIKeyWWJDLIUDQHFAGC-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride?
The IUPAC name of 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride (CID 10198057) is 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride.
What is the SMILES notation for 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride?
The canonical SMILES for 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride is Cl.c1ccc2c(c1)C1CNCC2C1.
What is the InChIKey of 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride?
The InChIKey is WWJDLIUDQHFAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.ClH/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1;/h1-4,8-9,12H,5-7H2;1H.
What are the key properties of 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride?
10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride is sourced from PubChem (CID 10198057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).