8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C12H15N5O5 — CID 56807611

IUPAC8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)N1
InChIInChI=1S/C12H15N5O5/c18-7(5-6-8(19)14-10(21)13-6)17-3-1-12(2-4-17)9(20)15-11(22)16-12/h6H,1-5H2,(H2,13,14,19,21)(H2,15,16,20,22)
InChIKeyDYQIRMNPUFZKQT-UHFFFAOYSA-N
MW309.28 g/mol
LogP-2.21
Rot. Bonds2

About 8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 56807611) has the molecular formula C12H15N5O5 and a molecular weight of 309.28 g/mol. Its IUPAC name is 8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID56807611
Molecular FormulaC12H15N5O5
Molecular Weight309.28 g/mol
Exact Mass309.11
IUPAC Name8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)N1
InChIInChI=1S/C12H15N5O5/c18-7(5-6-8(19)14-10(21)13-6)17-3-1-12(2-4-17)9(20)15-11(22)16-12/h6H,1-5H2,(H2,13,14,19,21)(H2,15,16,20,22)
InChIKeyDYQIRMNPUFZKQT-UHFFFAOYSA-N
XLogP-2.21
TPSA136.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione
CID 96575753
8-[2-(oxolan-2-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47211168
7-(2-cyclopentylacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996213
8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873031
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873032
8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 81171740
7-[2-(oxolan-2-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996141
8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 115949458
8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 102655908
(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl) hydrogen carbonate
CID 68899582
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 56807611) is 8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)N1.
What is the InChIKey of 8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is DYQIRMNPUFZKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O5/c18-7(5-6-8(19)14-10(21)13-6)17-3-1-12(2-4-17)9(20)15-11(22)16-12/h6H,1-5H2,(H2,13,14,19,21)(H2,15,16,20,22).
What are the key properties of 8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 309.28 g/mol, XLogP of -2.21, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 56807611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).