1,8-diazaspiro[4.5]dec-3-ene

C8H14N2 — CID 23282899

IUPAC1,8-diazaspiro[4.5]dec-3-ene
SMILESC1=CC2(CCNCC2)NC1
InChIInChI=1S/C8H14N2/c1-2-8(10-5-1)3-6-9-7-4-8/h1-2,9-10H,3-7H2
InChIKeyBSZVCHPDGBZLMI-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.27
Rot. Bonds

About 1,8-diazaspiro[4.5]dec-3-ene

1,8-diazaspiro[4.5]dec-3-ene (PubChem CID 23282899) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,8-diazaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name1,8-diazaspiro[4.5]dec-3-ene
PubChem CID23282899
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,8-diazaspiro[4.5]dec-3-ene
SMILESC1=CC2(CCNCC2)NC1
InChIInChI=1S/C8H14N2/c1-2-8(10-5-1)3-6-9-7-4-8/h1-2,9-10H,3-7H2
InChIKeyBSZVCHPDGBZLMI-UHFFFAOYSA-N
XLogP0.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,8-diazaspiro[4.5]dec-3-ene?
The IUPAC name of 1,8-diazaspiro[4.5]dec-3-ene (CID 23282899) is 1,8-diazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 1,8-diazaspiro[4.5]dec-3-ene?
The canonical SMILES for 1,8-diazaspiro[4.5]dec-3-ene is C1=CC2(CCNCC2)NC1.
What is the InChIKey of 1,8-diazaspiro[4.5]dec-3-ene?
The InChIKey is BSZVCHPDGBZLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-8(10-5-1)3-6-9-7-4-8/h1-2,9-10H,3-7H2.
What are the key properties of 1,8-diazaspiro[4.5]dec-3-ene?
1,8-diazaspiro[4.5]dec-3-ene has a molecular weight of 138.21 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazaspiro[4.5]dec-3-ene is sourced from PubChem (CID 23282899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).