3,9-diazaspiro[5.5]undeca-1,4-diene

C9H14N2 — CID 23135191

IUPAC3,9-diazaspiro[5.5]undeca-1,4-diene
SMILESC1=CC2(C=CN1)CCNCC2
InChIInChI=1S/C9H14N2/c1-5-10-6-2-9(1)3-7-11-8-4-9/h1-2,5-6,10-11H,3-4,7-8H2
InChIKeyJODNSKJMYQJRJE-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.99
Rot. Bonds

About 3,9-diazaspiro[5.5]undeca-1,4-diene

3,9-diazaspiro[5.5]undeca-1,4-diene (PubChem CID 23135191) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,9-diazaspiro[5.5]undeca-1,4-diene.

Molecular Properties

Compound Name3,9-diazaspiro[5.5]undeca-1,4-diene
PubChem CID23135191
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3,9-diazaspiro[5.5]undeca-1,4-diene
SMILESC1=CC2(C=CN1)CCNCC2
InChIInChI=1S/C9H14N2/c1-5-10-6-2-9(1)3-7-11-8-4-9/h1-2,5-6,10-11H,3-4,7-8H2
InChIKeyJODNSKJMYQJRJE-UHFFFAOYSA-N
XLogP0.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,9-diazaspiro[5.5]undeca-1,4-diene?
The IUPAC name of 3,9-diazaspiro[5.5]undeca-1,4-diene (CID 23135191) is 3,9-diazaspiro[5.5]undeca-1,4-diene.
What is the SMILES notation for 3,9-diazaspiro[5.5]undeca-1,4-diene?
The canonical SMILES for 3,9-diazaspiro[5.5]undeca-1,4-diene is C1=CC2(C=CN1)CCNCC2.
What is the InChIKey of 3,9-diazaspiro[5.5]undeca-1,4-diene?
The InChIKey is JODNSKJMYQJRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-10-6-2-9(1)3-7-11-8-4-9/h1-2,5-6,10-11H,3-4,7-8H2.
What are the key properties of 3,9-diazaspiro[5.5]undeca-1,4-diene?
3,9-diazaspiro[5.5]undeca-1,4-diene has a molecular weight of 150.22 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazaspiro[5.5]undeca-1,4-diene is sourced from PubChem (CID 23135191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).