1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone

C7H12N2O4 — CID 54391730

IUPAC1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone
SMILESCC(=O)C1CNC(O)(O)N1C(C)=O
InChIInChI=1S/C7H12N2O4/c1-4(10)6-3-8-7(12,13)9(6)5(2)11/h6,8,12-13H,3H2,1-2H3
InChIKeyVHCGEUASZHUHHQ-UHFFFAOYSA-N
MW188.18 g/mol
LogP-2.01
Rot. Bonds1

About 1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone

1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone (PubChem CID 54391730) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone
PubChem CID54391730
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone
SMILESCC(=O)C1CNC(O)(O)N1C(C)=O
InChIInChI=1S/C7H12N2O4/c1-4(10)6-3-8-7(12,13)9(6)5(2)11/h6,8,12-13H,3H2,1-2H3
InChIKeyVHCGEUASZHUHHQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-acetyl-4,4-difluoropyrrolidin-2-yl)ethanone
CID 21015975
ethane;1-(1-methylpiperazin-2-yl)ethanone
CID 142036342
1-(2,5,5-trimethylpiperazin-1-yl)ethanone
CID 82240896
1-(1-propan-2-ylaziridin-2-yl)ethanone
CID 160809757
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
1-(1-acetyl-4-hydroxypyrrolidin-2-yl)ethanone
CID 20687038
1-(1-acetyl-5-chloropyrrolidin-2-yl)ethanone
CID 143025391
1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone
CID 58595355
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
2-acetylpiperazine-1-carbaldehyde
CID 22614357
1-(1-ethylpiperazin-2-yl)ethanone
CID 173048643
1-[(2R)-2,6-dimethylpiperazin-1-yl]ethanone
CID 143550985

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone?
The IUPAC name of 1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone (CID 54391730) is 1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone.
What is the SMILES notation for 1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone?
The canonical SMILES for 1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone is CC(=O)C1CNC(O)(O)N1C(C)=O.
What is the InChIKey of 1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone?
The InChIKey is VHCGEUASZHUHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-4(10)6-3-8-7(12,13)9(6)5(2)11/h6,8,12-13H,3H2,1-2H3.
What are the key properties of 1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone?
1-(3-acetyl-2,2-dihydroxyimidazolidin-4-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-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone is sourced from PubChem (CID 54391730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).