(2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride

C10H14Cl2N2 — CID 66588869

IUPAC(2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride
SMILESCl.Cl.c1cnc2c(c1)[C@@H]1NCC[C@@H]1C2
InChIInChI=1S/C10H12N2.2ClH/c1-2-8-9(11-4-1)6-7-3-5-12-10(7)8;;/h1-2,4,7,10,12H,3,5-6H2;2*1H/t7-,10-;;/m1../s1
InChIKeyZMABJSFYOBMKEW-CJYAGVAKSA-N
MW233.14 g/mol
LogP2.13
Rot. Bonds

About (2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride

(2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride (PubChem CID 66588869) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is (2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride.

Molecular Properties

Compound Name(2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride
PubChem CID66588869
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name(2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride
SMILESCl.Cl.c1cnc2c(c1)[C@@H]1NCC[C@@H]1C2
InChIInChI=1S/C10H12N2.2ClH/c1-2-8-9(11-4-1)6-7-3-5-12-10(7)8;;/h1-2,4,7,10,12H,3,5-6H2;2*1H/t7-,10-;;/m1../s1
InChIKeyZMABJSFYOBMKEW-CJYAGVAKSA-N
XLogP2.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride?
The IUPAC name of (2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride (CID 66588869) is (2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride.
What is the SMILES notation for (2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride?
The canonical SMILES for (2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride is Cl.Cl.c1cnc2c(c1)[C@@H]1NCC[C@@H]1C2.
What is the InChIKey of (2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride?
The InChIKey is ZMABJSFYOBMKEW-CJYAGVAKSA-N. The full InChI is InChI=1S/C10H12N2.2ClH/c1-2-8-9(11-4-1)6-7-3-5-12-10(7)8;;/h1-2,4,7,10,12H,3,5-6H2;2*1H/t7-,10-;;/m1../s1.
What are the key properties of (2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride?
(2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride has a molecular weight of 233.14 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride is sourced from PubChem (CID 66588869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).