2-azaspiro[5.5]undeca-1,9-diene

C10H15N — CID 11240575

IUPAC2-azaspiro[5.5]undeca-1,9-diene
SMILESC1=CCC2(C=NCCC2)CC1
InChIInChI=1S/C10H15N/c1-2-5-10(6-3-1)7-4-8-11-9-10/h1-2,9H,3-8H2
InChIKeyUQOAMFVVWQWGNH-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.58
Rot. Bonds

About 2-azaspiro[5.5]undeca-1,9-diene

2-azaspiro[5.5]undeca-1,9-diene (PubChem CID 11240575) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-azaspiro[5.5]undeca-1,9-diene.

Molecular Properties

Compound Name2-azaspiro[5.5]undeca-1,9-diene
PubChem CID11240575
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-azaspiro[5.5]undeca-1,9-diene
SMILESC1=CCC2(C=NCCC2)CC1
InChIInChI=1S/C10H15N/c1-2-5-10(6-3-1)7-4-8-11-9-10/h1-2,9H,3-8H2
InChIKeyUQOAMFVVWQWGNH-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
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 2-azaspiro[5.5]undeca-1,9-diene?
The IUPAC name of 2-azaspiro[5.5]undeca-1,9-diene (CID 11240575) is 2-azaspiro[5.5]undeca-1,9-diene.
What is the SMILES notation for 2-azaspiro[5.5]undeca-1,9-diene?
The canonical SMILES for 2-azaspiro[5.5]undeca-1,9-diene is C1=CCC2(C=NCCC2)CC1.
What is the InChIKey of 2-azaspiro[5.5]undeca-1,9-diene?
The InChIKey is UQOAMFVVWQWGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-5-10(6-3-1)7-4-8-11-9-10/h1-2,9H,3-8H2.
What are the key properties of 2-azaspiro[5.5]undeca-1,9-diene?
2-azaspiro[5.5]undeca-1,9-diene has a molecular weight of 149.24 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[5.5]undeca-1,9-diene is sourced from PubChem (CID 11240575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).