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

C11H13N — CID 10198058

IUPAC10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)C1CNCC2C1
InChIInChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2
InChIKeyCOMHUAMOJSTCMM-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.86
Rot. Bonds

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

10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (PubChem CID 10198058) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
PubChem CID10198058
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)C1CNCC2C1
InChIInChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2
InChIKeyCOMHUAMOJSTCMM-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.86
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?
The IUPAC name of 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (CID 10198058) is 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene is c1ccc2c(c1)C1CNCC2C1.
What is the InChIKey of 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The InChIKey is COMHUAMOJSTCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2.
What are the key properties of 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene has a molecular weight of 159.23 g/mol, XLogP of 1.86, 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 is sourced from PubChem (CID 10198058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).