(5-acetyloxyimidazolidin-4-yl) acetate

C7H12N2O4 — CID 22102245

IUPAC(5-acetyloxyimidazolidin-4-yl) acetate
SMILESCC(=O)OC1NCNC1OC(C)=O
InChIInChI=1S/C7H12N2O4/c1-4(10)12-6-7(9-3-8-6)13-5(2)11/h6-9H,3H2,1-2H3
InChIKeyHAYQQUILMWDOLN-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.08
Rot. Bonds2

About (5-acetyloxyimidazolidin-4-yl) acetate

(5-acetyloxyimidazolidin-4-yl) acetate (PubChem CID 22102245) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (5-acetyloxyimidazolidin-4-yl) acetate.

Molecular Properties

Compound Name(5-acetyloxyimidazolidin-4-yl) acetate
PubChem CID22102245
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(5-acetyloxyimidazolidin-4-yl) acetate
SMILESCC(=O)OC1NCNC1OC(C)=O
InChIInChI=1S/C7H12N2O4/c1-4(10)12-6-7(9-3-8-6)13-5(2)11/h6-9H,3H2,1-2H3
InChIKeyHAYQQUILMWDOLN-UHFFFAOYSA-N
XLogP-1.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-Diethoxyimidazolidin-2-one
CID 352138
2-Oxoimidazolidin-4-yl acetate
CID 129696622
5-(Acetyloxy)-2-oxo-4-imidazolidinyl acetate
CID 23766340
(1-Acetyl-5-acetyloxyimidazolidin-4-yl) acetate
CID 21652178
(5-Propanoyloxyimidazolidin-4-yl) propanoate
CID 53926161
2-Imidazolidin-1-ylethyl acetate
CID 54549940
(2-Acetyl-5-acetyloxyimidazolidin-4-yl) acetate
CID 70355898
(5-Acetyloxy-1,1-diformylimidazolidin-1-ium-4-yl) acetate
CID 88340238
4-Ethoxy-5-methoxyimidazolidin-2-one
CID 139891082
Ethyl imidazolidine-2-carboxylate
CID 139988758
(4-Acetyloxyimidazolidin-4-yl) acetate
CID 141540000
4-(2-Methoxyethoxy)imidazolidin-2-one
CID 69295169

Frequently Asked Questions

What is the IUPAC name of (5-acetyloxyimidazolidin-4-yl) acetate?
The IUPAC name of (5-acetyloxyimidazolidin-4-yl) acetate (CID 22102245) is (5-acetyloxyimidazolidin-4-yl) acetate.
What is the SMILES notation for (5-acetyloxyimidazolidin-4-yl) acetate?
The canonical SMILES for (5-acetyloxyimidazolidin-4-yl) acetate is CC(=O)OC1NCNC1OC(C)=O.
What is the InChIKey of (5-acetyloxyimidazolidin-4-yl) acetate?
The InChIKey is HAYQQUILMWDOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-4(10)12-6-7(9-3-8-6)13-5(2)11/h6-9H,3H2,1-2H3.
What are the key properties of (5-acetyloxyimidazolidin-4-yl) acetate?
(5-acetyloxyimidazolidin-4-yl) acetate has a molecular weight of 188.18 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxyimidazolidin-4-yl) acetate is sourced from PubChem (CID 22102245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).