8-azaspiro[4.6]undeca-3,9-diene

C10H15N — CID 23598606

IUPAC8-azaspiro[4.6]undeca-3,9-diene
SMILESC1=CC2(CC=CNCC2)CC1
InChIInChI=1S/C10H15N/c1-2-5-10(4-1)6-3-8-11-9-7-10/h1,3-4,8,11H,2,5-7,9H2
InChIKeyJENWKUYIRIPLSE-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.22
Rot. Bonds

About 8-azaspiro[4.6]undeca-3,9-diene

8-azaspiro[4.6]undeca-3,9-diene (PubChem CID 23598606) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 8-azaspiro[4.6]undeca-3,9-diene.

Molecular Properties

Compound Name8-azaspiro[4.6]undeca-3,9-diene
PubChem CID23598606
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name8-azaspiro[4.6]undeca-3,9-diene
SMILESC1=CC2(CC=CNCC2)CC1
InChIInChI=1S/C10H15N/c1-2-5-10(4-1)6-3-8-11-9-7-10/h1,3-4,8,11H,2,5-7,9H2
InChIKeyJENWKUYIRIPLSE-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.22
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 8-azaspiro[4.6]undeca-3,9-diene?
The IUPAC name of 8-azaspiro[4.6]undeca-3,9-diene (CID 23598606) is 8-azaspiro[4.6]undeca-3,9-diene.
What is the SMILES notation for 8-azaspiro[4.6]undeca-3,9-diene?
The canonical SMILES for 8-azaspiro[4.6]undeca-3,9-diene is C1=CC2(CC=CNCC2)CC1.
What is the InChIKey of 8-azaspiro[4.6]undeca-3,9-diene?
The InChIKey is JENWKUYIRIPLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-5-10(4-1)6-3-8-11-9-7-10/h1,3-4,8,11H,2,5-7,9H2.
What are the key properties of 8-azaspiro[4.6]undeca-3,9-diene?
8-azaspiro[4.6]undeca-3,9-diene has a molecular weight of 149.24 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.6]undeca-3,9-diene is sourced from PubChem (CID 23598606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).