9-azaspiro[5.6]dodeca-4,10-diene

C11H17N — CID 23598528

IUPAC9-azaspiro[5.6]dodeca-4,10-diene
SMILESC1=CC2(CC=CNCC2)CCC1
InChIInChI=1S/C11H17N/c1-2-5-11(6-3-1)7-4-9-12-10-8-11/h2,4-5,9,12H,1,3,6-8,10H2
InChIKeyUKOBNXADTIFCQM-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.61
Rot. Bonds

About 9-azaspiro[5.6]dodeca-4,10-diene

9-azaspiro[5.6]dodeca-4,10-diene (PubChem CID 23598528) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 9-azaspiro[5.6]dodeca-4,10-diene.

Molecular Properties

Compound Name9-azaspiro[5.6]dodeca-4,10-diene
PubChem CID23598528
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name9-azaspiro[5.6]dodeca-4,10-diene
SMILESC1=CC2(CC=CNCC2)CCC1
InChIInChI=1S/C11H17N/c1-2-5-11(6-3-1)7-4-9-12-10-8-11/h2,4-5,9,12H,1,3,6-8,10H2
InChIKeyUKOBNXADTIFCQM-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 9-azaspiro[5.6]dodeca-4,10-diene?
The IUPAC name of 9-azaspiro[5.6]dodeca-4,10-diene (CID 23598528) is 9-azaspiro[5.6]dodeca-4,10-diene.
What is the SMILES notation for 9-azaspiro[5.6]dodeca-4,10-diene?
The canonical SMILES for 9-azaspiro[5.6]dodeca-4,10-diene is C1=CC2(CC=CNCC2)CCC1.
What is the InChIKey of 9-azaspiro[5.6]dodeca-4,10-diene?
The InChIKey is UKOBNXADTIFCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-5-11(6-3-1)7-4-9-12-10-8-11/h2,4-5,9,12H,1,3,6-8,10H2.
What are the key properties of 9-azaspiro[5.6]dodeca-4,10-diene?
9-azaspiro[5.6]dodeca-4,10-diene has a molecular weight of 163.26 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azaspiro[5.6]dodeca-4,10-diene is sourced from PubChem (CID 23598528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).