7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione

C12H17N3O2 — CID 79501912

IUPAC7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione
SMILESNC1(C2=NC(=O)C3(CCC3)C(=O)N2)CCCC1
InChIInChI=1S/C12H17N3O2/c13-12(6-1-2-7-12)8-14-9(16)11(4-3-5-11)10(17)15-8/h1-7,13H2,(H,14,15,16,17)
InChIKeyLQVSICLGMBXZPZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.48
Rot. Bonds1

About 7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione

7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione (PubChem CID 79501912) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione.

Molecular Properties

Compound Name7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione
PubChem CID79501912
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione
SMILESNC1(C2=NC(=O)C3(CCC3)C(=O)N2)CCCC1
InChIInChI=1S/C12H17N3O2/c13-12(6-1-2-7-12)8-14-9(16)11(4-3-5-11)10(17)15-8/h1-7,13H2,(H,14,15,16,17)
InChIKeyLQVSICLGMBXZPZ-UHFFFAOYSA-N
XLogP0.48
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.48
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 7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione?
The IUPAC name of 7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione (CID 79501912) is 7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione.
What is the SMILES notation for 7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione?
The canonical SMILES for 7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione is NC1(C2=NC(=O)C3(CCC3)C(=O)N2)CCCC1.
What is the InChIKey of 7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione?
The InChIKey is LQVSICLGMBXZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(6-1-2-7-12)8-14-9(16)11(4-3-5-11)10(17)15-8/h1-7,13H2,(H,14,15,16,17).
What are the key properties of 7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione?
7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione has a molecular weight of 235.29 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione is sourced from PubChem (CID 79501912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).