6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione

C11H17N3O2 — CID 79502497

IUPAC6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
SMILESCCC(N)(CC)C1=NC(=O)C2(CC2)C(=O)N1
InChIInChI=1S/C11H17N3O2/c1-3-11(12,4-2)7-13-8(15)10(5-6-10)9(16)14-7/h3-6,12H2,1-2H3,(H,13,14,15,16)
InChIKeyOTBXCMFHWYJHGU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.34
Rot. Bonds3

About 6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione

6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione (PubChem CID 79502497) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione.

Molecular Properties

Compound Name6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
PubChem CID79502497
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
SMILESCCC(N)(CC)C1=NC(=O)C2(CC2)C(=O)N1
InChIInChI=1S/C11H17N3O2/c1-3-11(12,4-2)7-13-8(15)10(5-6-10)9(16)14-7/h3-6,12H2,1-2H3,(H,13,14,15,16)
InChIKeyOTBXCMFHWYJHGU-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The IUPAC name of 6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione (CID 79502497) is 6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione.
What is the SMILES notation for 6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The canonical SMILES for 6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione is CCC(N)(CC)C1=NC(=O)C2(CC2)C(=O)N1.
What is the InChIKey of 6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The InChIKey is OTBXCMFHWYJHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-11(12,4-2)7-13-8(15)10(5-6-10)9(16)14-7/h3-6,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of 6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-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 6-(3-aminopentan-3-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione is sourced from PubChem (CID 79502497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).