(5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate

C9H12N2O6 — CID 3624057

IUPAC(5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate
SMILESCC(=O)OC1C(OC(C)=O)N(C=O)CN1C=O
InChIInChI=1S/C9H12N2O6/c1-6(14)16-8-9(17-7(2)15)11(5-13)3-10(8)4-12/h4-5,8-9H,3H2,1-2H3
InChIKeyWBBAZMPYEDKGEU-UHFFFAOYSA-N
MW244.20 g/mol
LogP-1.35
Rot. Bonds4

About (5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate

(5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate (PubChem CID 3624057) has the molecular formula C9H12N2O6 and a molecular weight of 244.20 g/mol. Its IUPAC name is (5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate.

Molecular Properties

Compound Name(5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate
PubChem CID3624057
Molecular FormulaC9H12N2O6
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name(5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate
SMILESCC(=O)OC1C(OC(C)=O)N(C=O)CN1C=O
InChIInChI=1S/C9H12N2O6/c1-6(14)16-8-9(17-7(2)15)11(5-13)3-10(8)4-12/h4-5,8-9H,3H2,1-2H3
InChIKeyWBBAZMPYEDKGEU-UHFFFAOYSA-N
XLogP-1.35
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-1.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid 5-acetoxy-1,3-diacetyl-2-oxo-imidazolidin-4-yl ester
CID 652321
1,3-Dimethyl-2-oxoimidazolidine-4,5-diyl diacetate
CID 4282473
1,3-Diacetylimidazolidine-4,5-diyl diacetate
CID 5253296
1,3-Diethyl-2-oxoimidazolidine-4,5-diyl diacetate
CID 5113021
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
(1-Acetyl-5-acetyloxyimidazolidin-4-yl) acetate
CID 21652178
(1,3-Diacetyl-5-propanoyloxyimidazolidin-4-yl) propanoate
CID 21715938
[5-acetyloxy-1-(1,3-diacetyl-4,5-diacetyloxy-2H-imidazol-2-yl)-1,3-diformylimidazolidin-1-ium-4-yl] acetate
CID 57316262
4,5-Diethoxy-1-(ethoxymethyl)-3-methylimidazolidin-2-one
CID 57596675
[1-(Ethoxymethyl)-5-(methoxymethoxy)-3-methyl-2-oxoimidazolidin-4-yl] acetate
CID 57935446
(5-Acetyloxy-1,1-diformylimidazolidin-1-ium-4-yl) acetate
CID 88340238

Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate?
The IUPAC name of (5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate (CID 3624057) is (5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate.
What is the SMILES notation for (5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate?
The canonical SMILES for (5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate is CC(=O)OC1C(OC(C)=O)N(C=O)CN1C=O.
What is the InChIKey of (5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate?
The InChIKey is WBBAZMPYEDKGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6/c1-6(14)16-8-9(17-7(2)15)11(5-13)3-10(8)4-12/h4-5,8-9H,3H2,1-2H3.
What are the key properties of (5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate?
(5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate has a molecular weight of 244.20 g/mol, XLogP of -1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-1,3-diformylimidazolidin-4-yl) acetate is sourced from PubChem (CID 3624057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).