2-azaspiro[3.5]non-6-ene

C8H13N — CID 166146401

IUPAC2-azaspiro[3.5]non-6-ene
SMILESC1=CCC2(CC1)CNC2
InChIInChI=1S/C8H13N/c1-2-4-8(5-3-1)6-9-7-8/h1-2,9H,3-7H2
InChIKeyFVOMBGNMMUVCCV-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.32
Rot. Bonds

About 2-azaspiro[3.5]non-6-ene

2-azaspiro[3.5]non-6-ene (PubChem CID 166146401) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-azaspiro[3.5]non-6-ene.

Molecular Properties

Compound Name2-azaspiro[3.5]non-6-ene
PubChem CID166146401
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-azaspiro[3.5]non-6-ene
SMILESC1=CCC2(CC1)CNC2
InChIInChI=1S/C8H13N/c1-2-4-8(5-3-1)6-9-7-8/h1-2,9H,3-7H2
InChIKeyFVOMBGNMMUVCCV-UHFFFAOYSA-N
XLogP1.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.32
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 2-azaspiro[3.5]non-6-ene?
The IUPAC name of 2-azaspiro[3.5]non-6-ene (CID 166146401) is 2-azaspiro[3.5]non-6-ene.
What is the SMILES notation for 2-azaspiro[3.5]non-6-ene?
The canonical SMILES for 2-azaspiro[3.5]non-6-ene is C1=CCC2(CC1)CNC2.
What is the InChIKey of 2-azaspiro[3.5]non-6-ene?
The InChIKey is FVOMBGNMMUVCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-4-8(5-3-1)6-9-7-8/h1-2,9H,3-7H2.
What are the key properties of 2-azaspiro[3.5]non-6-ene?
2-azaspiro[3.5]non-6-ene has a molecular weight of 123.20 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.5]non-6-ene is sourced from PubChem (CID 166146401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).