(1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate

C10H12N2O6 — CID 135070441

IUPAC(1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate
SMILESCC(=O)OCC1C(=O)N(C(C)=O)C(=O)N1C(C)=O
InChIInChI=1S/C10H12N2O6/c1-5(13)11-8(4-18-7(3)15)9(16)12(6(2)14)10(11)17/h8H,4H2,1-3H3
InChIKeyMTIUUDSBKJAFMG-UHFFFAOYSA-N
MW256.21 g/mol
LogP-0.72
Rot. Bonds2

About (1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate

(1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate (PubChem CID 135070441) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is (1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate.

Molecular Properties

Compound Name(1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate
PubChem CID135070441
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name(1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate
SMILESCC(=O)OCC1C(=O)N(C(C)=O)C(=O)N1C(C)=O
InChIInChI=1S/C10H12N2O6/c1-5(13)11-8(4-18-7(3)15)9(16)12(6(2)14)10(11)17/h8H,4H2,1-3H3
InChIKeyMTIUUDSBKJAFMG-UHFFFAOYSA-N
XLogP-0.72
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate?
The IUPAC name of (1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate (CID 135070441) is (1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate.
What is the SMILES notation for (1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate?
The canonical SMILES for (1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate is CC(=O)OCC1C(=O)N(C(C)=O)C(=O)N1C(C)=O.
What is the InChIKey of (1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate?
The InChIKey is MTIUUDSBKJAFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6/c1-5(13)11-8(4-18-7(3)15)9(16)12(6(2)14)10(11)17/h8H,4H2,1-3H3.
What are the key properties of (1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate?
(1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate has a molecular weight of 256.21 g/mol, XLogP of -0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diacetyl-2,5-dioxoimidazolidin-4-yl)methyl acetate is sourced from PubChem (CID 135070441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).