1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione

C8H10N2O5 — CID 107507683

IUPAC1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione
SMILESCOCC(=O)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C8H10N2O5/c1-9-6(12)7(13)10(8(9)14)3-5(11)4-15-2/h3-4H2,1-2H3
InChIKeyIOWUJOOSDWCHQZ-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.38
Rot. Bonds4

About 1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione

1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione (PubChem CID 107507683) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione
PubChem CID107507683
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione
SMILESCOCC(=O)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C8H10N2O5/c1-9-6(12)7(13)10(8(9)14)3-5(11)4-15-2/h3-4H2,1-2H3
InChIKeyIOWUJOOSDWCHQZ-UHFFFAOYSA-N
XLogP-1.38
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione (CID 107507683) is 1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione is COCC(=O)CN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione?
The InChIKey is IOWUJOOSDWCHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-9-6(12)7(13)10(8(9)14)3-5(11)4-15-2/h3-4H2,1-2H3.
What are the key properties of 1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione?
1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione has a molecular weight of 214.18 g/mol, XLogP of -1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 107507683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).