5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C11H13ClN2 — CID 118055308

IUPAC5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESClc1ccc2c3c1CCN3CCNC2
InChIInChI=1S/C11H13ClN2/c12-10-2-1-8-7-13-4-6-14-5-3-9(10)11(8)14/h1-2,13H,3-7H2
InChIKeyWMEVNRBPSZDLCJ-UHFFFAOYSA-N
MW208.69 g/mol
LogP1.81
Rot. Bonds

About 5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055308) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055308
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESClc1ccc2c3c1CCN3CCNC2
InChIInChI=1S/C11H13ClN2/c12-10-2-1-8-7-13-4-6-14-5-3-9(10)11(8)14/h1-2,13H,3-7H2
InChIKeyWMEVNRBPSZDLCJ-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055308) is 5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is Clc1ccc2c3c1CCN3CCNC2.
What is the InChIKey of 5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is WMEVNRBPSZDLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c12-10-2-1-8-7-13-4-6-14-5-3-9(10)11(8)14/h1-2,13H,3-7H2.
What are the key properties of 5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 208.69 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).