(5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate

C9H14N2O5 — CID 4282473

IUPAC(5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate
SMILESCC(=O)OC1C(OC(C)=O)N(C)C(=O)N1C
InChIInChI=1S/C9H14N2O5/c1-5(12)15-7-8(16-6(2)13)11(4)9(14)10(7)3/h7-8H,1-4H3
InChIKeyCJPKVVXKFYKNAU-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.24
Rot. Bonds2

About (5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate

(5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate (PubChem CID 4282473) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is (5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate.

Molecular Properties

Compound Name(5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate
PubChem CID4282473
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name(5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate
SMILESCC(=O)OC1C(OC(C)=O)N(C)C(=O)N1C
InChIInChI=1S/C9H14N2O5/c1-5(12)15-7-8(16-6(2)13)11(4)9(14)10(7)3/h7-8H,1-4H3
InChIKeyCJPKVVXKFYKNAU-UHFFFAOYSA-N
XLogP-0.24
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Acetic acid 5-acetoxy-1,3-diacetyl-2-oxo-imidazolidin-4-yl ester
CID 652321
2-Imidazolidinone, 4,5-dimethoxy-1,3-bis(methoxymethyl)-
CID 107270
[3-(Acetyloxymethyl)-2-oxoimidazolidinyl]methyl acetate
CID 672517
1,3-Diacetylimidazolidine-4,5-diyl diacetate
CID 5253296
1,3-Diethyl-2-oxoimidazolidine-4,5-diyl diacetate
CID 5113021
5-(Acetyloxy)-2-oxo-4-imidazolidinyl acetate
CID 23766340
5-Acetyloxy-1,3-diformylimidazolidin-4-yl acetate
CID 3624057
1-Methyl-3-(2-acetoxyethyl)-2-imidazolidinone
CID 15746399
[5-Acetyloxy-1,3-bis(2-cyanoethyl)-2-oxoimidazolidin-4-yl] acetate
CID 20367087
Ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate
CID 21219829
4,5-Diethoxy-1,3-dimethylimidazolidin-2-one
CID 21219843
(1,3-Diacetyl-5-propanoyloxyimidazolidin-4-yl) propanoate
CID 21715938

Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate?
The IUPAC name of (5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate (CID 4282473) is (5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate.
What is the SMILES notation for (5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate?
The canonical SMILES for (5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate is CC(=O)OC1C(OC(C)=O)N(C)C(=O)N1C.
What is the InChIKey of (5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate?
The InChIKey is CJPKVVXKFYKNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-5(12)15-7-8(16-6(2)13)11(4)9(14)10(7)3/h7-8H,1-4H3.
What are the key properties of (5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate?
(5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate has a molecular weight of 230.22 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl) acetate is sourced from PubChem (CID 4282473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).