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

C10H12N2 — CID 11147878

IUPAC(2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
SMILESc1cnc2c(c1)[C@H]1NCC[C@H]1C2
InChIInChI=1S/C10H12N2/c1-2-8-9(11-4-1)6-7-3-5-12-10(7)8/h1-2,4,7,10,12H,3,5-6H2/t7-,10-/m0/s1
InChIKeyRNIMOYXZICWBLD-XVKPBYJWSA-N
MW160.22 g/mol
LogP1.29
Rot. Bonds

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

(2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene (PubChem CID 11147878) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene.

Molecular Properties

Compound Name(2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
PubChem CID11147878
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
SMILESc1cnc2c(c1)[C@H]1NCC[C@H]1C2
InChIInChI=1S/C10H12N2/c1-2-8-9(11-4-1)6-7-3-5-12-10(7)8/h1-2,4,7,10,12H,3,5-6H2/t7-,10-/m0/s1
InChIKeyRNIMOYXZICWBLD-XVKPBYJWSA-N
XLogP1.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene?
The IUPAC name of (2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene (CID 11147878) is (2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene.
What is the SMILES notation for (2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene?
The canonical SMILES for (2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene is c1cnc2c(c1)[C@H]1NCC[C@H]1C2.
What is the InChIKey of (2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene?
The InChIKey is RNIMOYXZICWBLD-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-8-9(11-4-1)6-7-3-5-12-10(7)8/h1-2,4,7,10,12H,3,5-6H2/t7-,10-/m0/s1.
What are the key properties of (2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene?
(2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene has a molecular weight of 160.22 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene is sourced from PubChem (CID 11147878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).