3-diazospiro[4.4]nonane

C9H14N2 — CID 87555662

IUPAC3-diazospiro[4.4]nonane
SMILES[N-]=[N+]=C1CCC2(CCCC2)C1
InChIInChI=1S/C9H14N2/c10-11-8-3-6-9(7-8)4-1-2-5-9/h1-7H2
InChIKeyIKSPOCQQBJWBMG-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.40
Rot. Bonds

About 3-diazospiro[4.4]nonane

3-diazospiro[4.4]nonane (PubChem CID 87555662) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-diazospiro[4.4]nonane.

Molecular Properties

Compound Name3-diazospiro[4.4]nonane
PubChem CID87555662
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-diazospiro[4.4]nonane
SMILES[N-]=[N+]=C1CCC2(CCCC2)C1
InChIInChI=1S/C9H14N2/c10-11-8-3-6-9(7-8)4-1-2-5-9/h1-7H2
InChIKeyIKSPOCQQBJWBMG-UHFFFAOYSA-N
XLogP2.40
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazospiro[4.4]nonane?
The IUPAC name of 3-diazospiro[4.4]nonane (CID 87555662) is 3-diazospiro[4.4]nonane.
What is the SMILES notation for 3-diazospiro[4.4]nonane?
The canonical SMILES for 3-diazospiro[4.4]nonane is [N-]=[N+]=C1CCC2(CCCC2)C1.
What is the InChIKey of 3-diazospiro[4.4]nonane?
The InChIKey is IKSPOCQQBJWBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c10-11-8-3-6-9(7-8)4-1-2-5-9/h1-7H2.
What are the key properties of 3-diazospiro[4.4]nonane?
3-diazospiro[4.4]nonane has a molecular weight of 150.22 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazospiro[4.4]nonane is sourced from PubChem (CID 87555662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).