2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene

C10H14N2 — CID 58823870

IUPAC2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene
SMILESC1CC2=NC3CCCC3N=C2C1
InChIInChI=1S/C10H14N2/c1-3-7-8(4-1)12-10-6-2-5-9(10)11-7/h7-8H,1-6H2
InChIKeyLXGLTVXSTCIKLQ-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.99
Rot. Bonds

About 2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene

2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene (PubChem CID 58823870) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene.

Molecular Properties

Compound Name2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene
PubChem CID58823870
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene
SMILESC1CC2=NC3CCCC3N=C2C1
InChIInChI=1S/C10H14N2/c1-3-7-8(4-1)12-10-6-2-5-9(10)11-7/h7-8H,1-6H2
InChIKeyLXGLTVXSTCIKLQ-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene?
The IUPAC name of 2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene (CID 58823870) is 2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene.
What is the SMILES notation for 2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene?
The canonical SMILES for 2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene is C1CC2=NC3CCCC3N=C2C1.
What is the InChIKey of 2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene?
The InChIKey is LXGLTVXSTCIKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-7-8(4-1)12-10-6-2-5-9(10)11-7/h7-8H,1-6H2.
What are the key properties of 2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene?
2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene has a molecular weight of 162.24 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazatricyclo[7.3.0.03,7]dodeca-1,8-diene is sourced from PubChem (CID 58823870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).