1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone

C7H12N2O4 — CID 22924333

IUPAC1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone
SMILESCC(=O)C1NC(O)C(O)N1C(C)=O
InChIInChI=1S/C7H12N2O4/c1-3(10)5-8-6(12)7(13)9(5)4(2)11/h5-8,12-13H,1-2H3
InChIKeyKTPHDQHBCHQEJW-UHFFFAOYSA-N
MW188.18 g/mol
LogP-2.01
Rot. Bonds1

About 1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone

1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone (PubChem CID 22924333) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone
PubChem CID22924333
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone
SMILESCC(=O)C1NC(O)C(O)N1C(C)=O
InChIInChI=1S/C7H12N2O4/c1-3(10)5-8-6(12)7(13)9(5)4(2)11/h5-8,12-13H,1-2H3
InChIKeyKTPHDQHBCHQEJW-UHFFFAOYSA-N
XLogP-2.01
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone?
The IUPAC name of 1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone (CID 22924333) is 1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone.
What is the SMILES notation for 1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone?
The canonical SMILES for 1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone is CC(=O)C1NC(O)C(O)N1C(C)=O.
What is the InChIKey of 1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone?
The InChIKey is KTPHDQHBCHQEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-3(10)5-8-6(12)7(13)9(5)4(2)11/h5-8,12-13H,1-2H3.
What are the key properties of 1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone?
1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone has a molecular weight of 188.18 g/mol, XLogP of -2.01, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-4,5-dihydroxyimidazolidin-2-yl)ethanone is sourced from PubChem (CID 22924333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).