1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone

C7H12N2O4 — CID 2829211

IUPAC1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone
SMILESCC(=O)N1CN(C(C)=O)C(O)C1O
InChIInChI=1S/C7H12N2O4/c1-4(10)8-3-9(5(2)11)7(13)6(8)12/h6-7,12-13H,3H2,1-2H3
InChIKeyUNVDEKZKNWGICE-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.71
Rot. Bonds

About 1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone

1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone (PubChem CID 2829211) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone
PubChem CID2829211
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone
SMILESCC(=O)N1CN(C(C)=O)C(O)C1O
InChIInChI=1S/C7H12N2O4/c1-4(10)8-3-9(5(2)11)7(13)6(8)12/h6-7,12-13H,3H2,1-2H3
InChIKeyUNVDEKZKNWGICE-UHFFFAOYSA-N
XLogP-1.71
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone?
The IUPAC name of 1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone (CID 2829211) is 1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone?
The canonical SMILES for 1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone is CC(=O)N1CN(C(C)=O)C(O)C1O.
What is the InChIKey of 1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone?
The InChIKey is UNVDEKZKNWGICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-4(10)8-3-9(5(2)11)7(13)6(8)12/h6-7,12-13H,3H2,1-2H3.
What are the key properties of 1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone?
1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone has a molecular weight of 188.18 g/mol, XLogP of -1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-4,5-dihydroxyimidazolidin-1-yl)ethanone is sourced from PubChem (CID 2829211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).