3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione

C11H14N2O4 — CID 135081166

IUPAC3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione
SMILESCC(=O)N1C(=O)NC(CC2CCCC2=O)C1=O
InChIInChI=1S/C11H14N2O4/c1-6(14)13-10(16)8(12-11(13)17)5-7-3-2-4-9(7)15/h7-8H,2-5H2,1H3,(H,12,17)
InChIKeyFOQQKJUSQUCTNC-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.21
Rot. Bonds2

About 3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione

3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione (PubChem CID 135081166) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione
PubChem CID135081166
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione
SMILESCC(=O)N1C(=O)NC(CC2CCCC2=O)C1=O
InChIInChI=1S/C11H14N2O4/c1-6(14)13-10(16)8(12-11(13)17)5-7-3-2-4-9(7)15/h7-8H,2-5H2,1H3,(H,12,17)
InChIKeyFOQQKJUSQUCTNC-UHFFFAOYSA-N
XLogP0.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione (CID 135081166) is 3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione is CC(=O)N1C(=O)NC(CC2CCCC2=O)C1=O.
What is the InChIKey of 3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione?
The InChIKey is FOQQKJUSQUCTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6(14)13-10(16)8(12-11(13)17)5-7-3-2-4-9(7)15/h7-8H,2-5H2,1H3,(H,12,17).
What are the key properties of 3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione?
3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione has a molecular weight of 238.24 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 135081166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).