6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione

C11H15N3O2 — CID 79501911

IUPAC6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
SMILESNC1(C2=NC(=O)C3(CC3)C(=O)N2)CCCC1
InChIInChI=1S/C11H15N3O2/c12-11(3-1-2-4-11)7-13-8(15)10(5-6-10)9(16)14-7/h1-6,12H2,(H,13,14,15,16)
InChIKeyAUBHMWYQIWWYEZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.09
Rot. Bonds1

About 6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione

6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione (PubChem CID 79501911) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione.

Molecular Properties

Compound Name6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
PubChem CID79501911
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
SMILESNC1(C2=NC(=O)C3(CC3)C(=O)N2)CCCC1
InChIInChI=1S/C11H15N3O2/c12-11(3-1-2-4-11)7-13-8(15)10(5-6-10)9(16)14-7/h1-6,12H2,(H,13,14,15,16)
InChIKeyAUBHMWYQIWWYEZ-UHFFFAOYSA-N
XLogP0.09
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.09
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 6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The IUPAC name of 6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione (CID 79501911) is 6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione.
What is the SMILES notation for 6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The canonical SMILES for 6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione is NC1(C2=NC(=O)C3(CC3)C(=O)N2)CCCC1.
What is the InChIKey of 6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The InChIKey is AUBHMWYQIWWYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-11(3-1-2-4-11)7-13-8(15)10(5-6-10)9(16)14-7/h1-6,12H2,(H,13,14,15,16).
What are the key properties of 6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione has a molecular weight of 221.26 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione is sourced from PubChem (CID 79501911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).