1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene

C9H10N2 — CID 90730550

IUPAC1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene
SMILESC1=CC2(C=CCC=N2)N=CC1
InChIInChI=1S/C9H10N2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-2,5-8H,3-4H2
InChIKeyDOFSWBHPYUEAIK-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.74
Rot. Bonds

About 1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene

1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene (PubChem CID 90730550) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene.

Molecular Properties

Compound Name1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene
PubChem CID90730550
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene
SMILESC1=CC2(C=CCC=N2)N=CC1
InChIInChI=1S/C9H10N2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-2,5-8H,3-4H2
InChIKeyDOFSWBHPYUEAIK-UHFFFAOYSA-N
XLogP1.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene?
The IUPAC name of 1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene (CID 90730550) is 1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene.
What is the SMILES notation for 1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene?
The canonical SMILES for 1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene is C1=CC2(C=CCC=N2)N=CC1.
What is the InChIKey of 1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene?
The InChIKey is DOFSWBHPYUEAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-2,5-8H,3-4H2.
What are the key properties of 1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene?
1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene has a molecular weight of 146.19 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazaspiro[5.5]undeca-1,4,7,10-tetraene is sourced from PubChem (CID 90730550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).