2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate

C9H14N2O4 — CID 593013

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H14N2O4/c1-6(12)15-5-4-11-7(13)9(2,3)10-8(11)14/h4-5H2,1-3H3,(H,10,14)
InChIKeyJHLUYPZQIUJTBO-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.12
Rot. Bonds3

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate (PubChem CID 593013) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate
PubChem CID593013
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H14N2O4/c1-6(12)15-5-4-11-7(13)9(2,3)10-8(11)14/h4-5H2,1-3H3,(H,10,14)
InChIKeyJHLUYPZQIUJTBO-UHFFFAOYSA-N
XLogP-0.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.12
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 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate (CID 593013) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate is CC(=O)OCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate?
The InChIKey is JHLUYPZQIUJTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6(12)15-5-4-11-7(13)9(2,3)10-8(11)14/h4-5H2,1-3H3,(H,10,14).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate has a molecular weight of 214.22 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl acetate is sourced from PubChem (CID 593013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).