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

C11H17N3O2 — CID 79501584

IUPAC8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
SMILESCC(C)(N)C1=NC(=O)C2(CCCC2)C(=O)N1
InChIInChI=1S/C11H17N3O2/c1-10(2,12)7-13-8(15)11(9(16)14-7)5-3-4-6-11/h3-6,12H2,1-2H3,(H,13,14,15,16)
InChIKeyGHXKJWBJNRUQMX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.34
Rot. Bonds1

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

8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione (PubChem CID 79501584) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione.

Molecular Properties

Compound Name8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
PubChem CID79501584
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
SMILESCC(C)(N)C1=NC(=O)C2(CCCC2)C(=O)N1
InChIInChI=1S/C11H17N3O2/c1-10(2,12)7-13-8(15)11(9(16)14-7)5-3-4-6-11/h3-6,12H2,1-2H3,(H,13,14,15,16)
InChIKeyGHXKJWBJNRUQMX-UHFFFAOYSA-N
XLogP0.34
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The IUPAC name of 8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione (CID 79501584) is 8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione.
What is the SMILES notation for 8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The canonical SMILES for 8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione is CC(C)(N)C1=NC(=O)C2(CCCC2)C(=O)N1.
What is the InChIKey of 8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The InChIKey is GHXKJWBJNRUQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-10(2,12)7-13-8(15)11(9(16)14-7)5-3-4-6-11/h3-6,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of 8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione has a molecular weight of 223.28 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione is sourced from PubChem (CID 79501584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).