8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione

C12H19N3O2 — CID 79500790

IUPAC8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
SMILESCCC(N)CC1=NC(=O)C2(CCCC2)C(=O)N1
InChIInChI=1S/C12H19N3O2/c1-2-8(13)7-9-14-10(16)12(11(17)15-9)5-3-4-6-12/h8H,2-7,13H2,1H3,(H,14,15,16,17)
InChIKeyRWTDICAUEIVJGF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.73
Rot. Bonds3

About 8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione

8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione (PubChem CID 79500790) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione.

Molecular Properties

Compound Name8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
PubChem CID79500790
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
SMILESCCC(N)CC1=NC(=O)C2(CCCC2)C(=O)N1
InChIInChI=1S/C12H19N3O2/c1-2-8(13)7-9-14-10(16)12(11(17)15-9)5-3-4-6-12/h8H,2-7,13H2,1H3,(H,14,15,16,17)
InChIKeyRWTDICAUEIVJGF-UHFFFAOYSA-N
XLogP0.73
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The IUPAC name of 8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione (CID 79500790) is 8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione.
What is the SMILES notation for 8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The canonical SMILES for 8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione is CCC(N)CC1=NC(=O)C2(CCCC2)C(=O)N1.
What is the InChIKey of 8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The InChIKey is RWTDICAUEIVJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-8(13)7-9-14-10(16)12(11(17)15-9)5-3-4-6-12/h8H,2-7,13H2,1H3,(H,14,15,16,17).
What are the key properties of 8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione has a molecular weight of 237.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminobutyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione is sourced from PubChem (CID 79500790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).