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

C10H15N3O2 — CID 79500920

IUPAC7-(1-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione
SMILESCCC(N)C1=NC(=O)C2(CCC2)C(=O)N1
InChIInChI=1S/C10H15N3O2/c1-2-6(11)7-12-8(14)10(4-3-5-10)9(15)13-7/h6H,2-5,11H2,1H3,(H,12,13,14,15)
InChIKeyVRIWERRXMHWJHB-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.05
Rot. Bonds2

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

7-(1-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione (PubChem CID 79500920) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 7-(1-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione.

Molecular Properties

Compound Name7-(1-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione
PubChem CID79500920
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name7-(1-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione
SMILESCCC(N)C1=NC(=O)C2(CCC2)C(=O)N1
InChIInChI=1S/C10H15N3O2/c1-2-6(11)7-12-8(14)10(4-3-5-10)9(15)13-7/h6H,2-5,11H2,1H3,(H,12,13,14,15)
InChIKeyVRIWERRXMHWJHB-UHFFFAOYSA-N
XLogP-0.05
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.05
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-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione?
The IUPAC name of 7-(1-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione (CID 79500920) is 7-(1-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione.
What is the SMILES notation for 7-(1-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione?
The canonical SMILES for 7-(1-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione is CCC(N)C1=NC(=O)C2(CCC2)C(=O)N1.
What is the InChIKey of 7-(1-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione?
The InChIKey is VRIWERRXMHWJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-6(11)7-12-8(14)10(4-3-5-10)9(15)13-7/h6H,2-5,11H2,1H3,(H,12,13,14,15).
What are the key properties of 7-(1-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione?
7-(1-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione has a molecular weight of 209.25 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminopropyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione is sourced from PubChem (CID 79500920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).