(2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene

C13H14ClN — CID 101402847

IUPAC(2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene
SMILESCl/C1=C/C2=C(/C=C\C3=C1CCC3)CNC2
InChIInChI=1S/C13H14ClN/c14-13-6-11-8-15-7-10(11)5-4-9-2-1-3-12(9)13/h4-6,15H,1-3,7-8H2/b5-4-,9-4-,10-5-,11-6-,13-6+,13-12+
InChIKeyOOKOXNJGYFKLFW-QAEWQMSOSA-N
MW219.71 g/mol
LogP3.06
Rot. Bonds

About (2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene

(2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene (PubChem CID 101402847) has the molecular formula C13H14ClN and a molecular weight of 219.71 g/mol. Its IUPAC name is (2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene.

Molecular Properties

Compound Name(2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene
PubChem CID101402847
Molecular FormulaC13H14ClN
Molecular Weight219.71 g/mol
Exact Mass219.08
IUPAC Name(2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene
SMILESCl/C1=C/C2=C(/C=C\C3=C1CCC3)CNC2
InChIInChI=1S/C13H14ClN/c14-13-6-11-8-15-7-10(11)5-4-9-2-1-3-12(9)13/h4-6,15H,1-3,7-8H2/b5-4-,9-4-,10-5-,11-6-,13-6+,13-12+
InChIKeyOOKOXNJGYFKLFW-QAEWQMSOSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene?
The IUPAC name of (2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene (CID 101402847) is (2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene.
What is the SMILES notation for (2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene?
The canonical SMILES for (2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene is Cl/C1=C/C2=C(/C=C\C3=C1CCC3)CNC2.
What is the InChIKey of (2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene?
The InChIKey is OOKOXNJGYFKLFW-QAEWQMSOSA-N. The full InChI is InChI=1S/C13H14ClN/c14-13-6-11-8-15-7-10(11)5-4-9-2-1-3-12(9)13/h4-6,15H,1-3,7-8H2/b5-4-,9-4-,10-5-,11-6-,13-6+,13-12+.
What are the key properties of (2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene?
(2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene has a molecular weight of 219.71 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,9Z)-2-chloro-6-azatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene is sourced from PubChem (CID 101402847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).