5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

C11H10ClN — CID 22556690

IUPAC5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESClc1ccc2c3c1ccn3CCC2
InChIInChI=1S/C11H10ClN/c12-10-4-3-8-2-1-6-13-7-5-9(10)11(8)13/h3-5,7H,1-2,6H2
InChIKeySZWCJJWNBSDHMW-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.24
Rot. Bonds

About 5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (PubChem CID 22556690) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.

Molecular Properties

Compound Name5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
PubChem CID22556690
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESClc1ccc2c3c1ccn3CCC2
InChIInChI=1S/C11H10ClN/c12-10-4-3-8-2-1-6-13-7-5-9(10)11(8)13/h3-5,7H,1-2,6H2
InChIKeySZWCJJWNBSDHMW-UHFFFAOYSA-N
XLogP3.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The IUPAC name of 5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (CID 22556690) is 5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.
What is the SMILES notation for 5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The canonical SMILES for 5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is Clc1ccc2c3c1ccn3CCC2.
What is the InChIKey of 5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The InChIKey is SZWCJJWNBSDHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c12-10-4-3-8-2-1-6-13-7-5-9(10)11(8)13/h3-5,7H,1-2,6H2.
What are the key properties of 5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene has a molecular weight of 191.66 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is sourced from PubChem (CID 22556690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).