5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione

C10H17N3O3 — CID 172954465

IUPAC5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione
SMILESCCO/N=C(\C)C1C(=O)N(CC)C(=O)N1C
InChIInChI=1S/C10H17N3O3/c1-5-13-9(14)8(12(4)10(13)15)7(3)11-16-6-2/h8H,5-6H2,1-4H3/b11-7+
InChIKeyUJRMPJLGACKHQF-YRNVUSSQSA-N
MW227.26 g/mol
LogP0.68
Rot. Bonds4

About 5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione

5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione (PubChem CID 172954465) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione
PubChem CID172954465
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione
SMILESCCO/N=C(\C)C1C(=O)N(CC)C(=O)N1C
InChIInChI=1S/C10H17N3O3/c1-5-13-9(14)8(12(4)10(13)15)7(3)11-16-6-2/h8H,5-6H2,1-4H3/b11-7+
InChIKeyUJRMPJLGACKHQF-YRNVUSSQSA-N
XLogP0.68
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione (CID 172954465) is 5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione is CCO/N=C(\C)C1C(=O)N(CC)C(=O)N1C.
What is the InChIKey of 5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione?
The InChIKey is UJRMPJLGACKHQF-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-5-13-9(14)8(12(4)10(13)15)7(3)11-16-6-2/h8H,5-6H2,1-4H3/b11-7+.
What are the key properties of 5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione?
5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione has a molecular weight of 227.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 172954465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).