7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione

C11H17N3O3 — CID 112598522

IUPAC7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCN(C)CCCN1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C11H17N3O3/c1-13(2)6-3-7-14-9(16)11(4-5-11)8(15)12-10(14)17/h3-7H2,1-2H3,(H,12,15,17)
InChIKeyROSMFCLZCSIMEO-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.20
Rot. Bonds4

About 7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 112598522) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID112598522
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCN(C)CCCN1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C11H17N3O3/c1-13(2)6-3-7-14-9(16)11(4-5-11)8(15)12-10(14)17/h3-7H2,1-2H3,(H,12,15,17)
InChIKeyROSMFCLZCSIMEO-UHFFFAOYSA-N
XLogP-0.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 112598522) is 7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione is CN(C)CCCN1C(=O)NC(=O)C2(CC2)C1=O.
What is the InChIKey of 7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is ROSMFCLZCSIMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13(2)6-3-7-14-9(16)11(4-5-11)8(15)12-10(14)17/h3-7H2,1-2H3,(H,12,15,17).
What are the key properties of 7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 239.27 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 112598522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).