(1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate

C11H16N2O6 — CID 5253296

IUPAC(1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate
SMILESCC(=O)OC1C(OC(C)=O)N(C(C)=O)CN1C(C)=O
InChIInChI=1S/C11H16N2O6/c1-6(14)12-5-13(7(2)15)11(19-9(4)17)10(12)18-8(3)16/h10-11H,5H2,1-4H3
InChIKeyRKHMZKDESOMZLE-UHFFFAOYSA-N
MW272.26 g/mol
LogP-0.57
Rot. Bonds2

About (1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate

(1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate (PubChem CID 5253296) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is (1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate.

Molecular Properties

Compound Name(1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate
PubChem CID5253296
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name(1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate
SMILESCC(=O)OC1C(OC(C)=O)N(C(C)=O)CN1C(C)=O
InChIInChI=1S/C11H16N2O6/c1-6(14)12-5-13(7(2)15)11(19-9(4)17)10(12)18-8(3)16/h10-11H,5H2,1-4H3
InChIKeyRKHMZKDESOMZLE-UHFFFAOYSA-N
XLogP-0.57
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Acetic acid 5-acetoxy-1,3-diacetyl-2-oxo-imidazolidin-4-yl ester
CID 652321
Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 90480645
1,3-Dimethyl-2-oxoimidazolidine-4,5-diyl diacetate
CID 4282473
1,3-Diethyl-2-oxoimidazolidine-4,5-diyl diacetate
CID 5113021
Methyl 1,3-diacetylimidazolidine-2-carboxylate
CID 102113005
5-Acetyloxy-1,3-diformylimidazolidin-4-yl acetate
CID 3624057
Ethyl 1-methyl-2,4,5-trioxoimidazolidine-3-acetate
CID 15096135
Ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate
CID 15096136
1-Methyl-3-(2-acetoxyethyl)-2-imidazolidinone
CID 15746399
(5-Acetyloxy-1,3-diformylimidazolidin-4-yl) acetate;(1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate
CID 18997683
[5-Acetyloxy-1,3-bis(2-cyanoethyl)-2-oxoimidazolidin-4-yl] acetate
CID 20367087
1-Acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one
CID 20823505

Frequently Asked Questions

What is the IUPAC name of (1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate?
The IUPAC name of (1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate (CID 5253296) is (1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate.
What is the SMILES notation for (1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate?
The canonical SMILES for (1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate is CC(=O)OC1C(OC(C)=O)N(C(C)=O)CN1C(C)=O.
What is the InChIKey of (1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate?
The InChIKey is RKHMZKDESOMZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6/c1-6(14)12-5-13(7(2)15)11(19-9(4)17)10(12)18-8(3)16/h10-11H,5H2,1-4H3.
What are the key properties of (1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate?
(1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate has a molecular weight of 272.26 g/mol, XLogP of -0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate is sourced from PubChem (CID 5253296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).