[3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate

C9H14N2O5 — CID 672517

IUPAC[3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate
SMILESCC(=O)OCN1CCN(COC(C)=O)C1=O
InChIInChI=1S/C9H14N2O5/c1-7(12)15-5-10-3-4-11(9(10)14)6-16-8(2)13/h3-6H2,1-2H3
InChIKeyHIOPBSAJJQRHTG-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.23
Rot. Bonds4

About [3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate

[3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate (PubChem CID 672517) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is [3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate.

Molecular Properties

Compound Name[3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate
PubChem CID672517
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name[3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate
SMILESCC(=O)OCN1CCN(COC(C)=O)C1=O
InChIInChI=1S/C9H14N2O5/c1-7(12)15-5-10-3-4-11(9(10)14)6-16-8(2)13/h3-6H2,1-2H3
InChIKeyHIOPBSAJJQRHTG-UHFFFAOYSA-N
XLogP-0.23
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Dimethyl-2-oxoimidazolidine-4,5-diyl diacetate
CID 4282473
Diethoxycarbonylimidazolidine
CID 129816879
(3-Ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate
CID 20747016
Dimethyl imidazolidine-1,3-dicarboxylate
CID 85709283
Diethyl 2-oxoimidazolidine-1,3-dicarboxylate
CID 139667780
(2,3-Dimethylimidazolidin-1-yl)methyl acetate
CID 141155590
Diethyl 2,4-dioxoimidazolidine-1,3-dicarboxylate
CID 163433842
[(4R,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate
CID 829195
[(4R,5R)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate
CID 829196
[(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate
CID 829197
Methyl 3-acetyl-2-oxoimidazolidine-1-carboxylate
CID 12338160

Frequently Asked Questions

What is the IUPAC name of [3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate?
The IUPAC name of [3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate (CID 672517) is [3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate.
What is the SMILES notation for [3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate?
The canonical SMILES for [3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate is CC(=O)OCN1CCN(COC(C)=O)C1=O.
What is the InChIKey of [3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate?
The InChIKey is HIOPBSAJJQRHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-7(12)15-5-10-3-4-11(9(10)14)6-16-8(2)13/h3-6H2,1-2H3.
What are the key properties of [3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate?
[3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate has a molecular weight of 230.22 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(acetyloxymethyl)-2-oxoimidazolidin-1-yl]methyl acetate is sourced from PubChem (CID 672517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).