1,2-diazaspiro[5.5]undeca-1,4-diene

C9H14N2 — CID 175890349

IUPAC1,2-diazaspiro[5.5]undeca-1,4-diene
SMILESC1=CC2(CCCCC2)N=NC1
InChIInChI=1S/C9H14N2/c1-2-5-9(6-3-1)7-4-8-10-11-9/h4,7H,1-3,5-6,8H2
InChIKeyGADCVETURLQCEI-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.71
Rot. Bonds

About 1,2-diazaspiro[5.5]undeca-1,4-diene

1,2-diazaspiro[5.5]undeca-1,4-diene (PubChem CID 175890349) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,2-diazaspiro[5.5]undeca-1,4-diene.

Molecular Properties

Compound Name1,2-diazaspiro[5.5]undeca-1,4-diene
PubChem CID175890349
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,2-diazaspiro[5.5]undeca-1,4-diene
SMILESC1=CC2(CCCCC2)N=NC1
InChIInChI=1S/C9H14N2/c1-2-5-9(6-3-1)7-4-8-10-11-9/h4,7H,1-3,5-6,8H2
InChIKeyGADCVETURLQCEI-UHFFFAOYSA-N
XLogP2.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.71
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 1,2-diazaspiro[5.5]undeca-1,4-diene?
The IUPAC name of 1,2-diazaspiro[5.5]undeca-1,4-diene (CID 175890349) is 1,2-diazaspiro[5.5]undeca-1,4-diene.
What is the SMILES notation for 1,2-diazaspiro[5.5]undeca-1,4-diene?
The canonical SMILES for 1,2-diazaspiro[5.5]undeca-1,4-diene is C1=CC2(CCCCC2)N=NC1.
What is the InChIKey of 1,2-diazaspiro[5.5]undeca-1,4-diene?
The InChIKey is GADCVETURLQCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-5-9(6-3-1)7-4-8-10-11-9/h4,7H,1-3,5-6,8H2.
What are the key properties of 1,2-diazaspiro[5.5]undeca-1,4-diene?
1,2-diazaspiro[5.5]undeca-1,4-diene has a molecular weight of 150.22 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazaspiro[5.5]undeca-1,4-diene is sourced from PubChem (CID 175890349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).