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

C11H17N3O2 — CID 79500929

IUPAC7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione
SMILESCCCC(N)C1=NC(=O)C2(CCC2)C(=O)N1
InChIInChI=1S/C11H17N3O2/c1-2-4-7(12)8-13-9(15)11(5-3-6-11)10(16)14-8/h7H,2-6,12H2,1H3,(H,13,14,15,16)
InChIKeyKYIUNMZTCYLWJB-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.34
Rot. Bonds3

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

7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione (PubChem CID 79500929) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione.

Molecular Properties

Compound Name7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione
PubChem CID79500929
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione
SMILESCCCC(N)C1=NC(=O)C2(CCC2)C(=O)N1
InChIInChI=1S/C11H17N3O2/c1-2-4-7(12)8-13-9(15)11(5-3-6-11)10(16)14-8/h7H,2-6,12H2,1H3,(H,13,14,15,16)
InChIKeyKYIUNMZTCYLWJB-UHFFFAOYSA-N
XLogP0.34
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione?
The IUPAC name of 7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione (CID 79500929) is 7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione.
What is the SMILES notation for 7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione?
The canonical SMILES for 7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione is CCCC(N)C1=NC(=O)C2(CCC2)C(=O)N1.
What is the InChIKey of 7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione?
The InChIKey is KYIUNMZTCYLWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-4-7(12)8-13-9(15)11(5-3-6-11)10(16)14-8/h7H,2-6,12H2,1H3,(H,13,14,15,16).
What are the key properties of 7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione?
7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione has a molecular weight of 223.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminobutyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione is sourced from PubChem (CID 79500929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).