1-butyl-5-ethoxyimidazolidine-2,4-dione

C9H16N2O3 — CID 18425970

IUPAC1-butyl-5-ethoxyimidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(=O)C1OCC
InChIInChI=1S/C9H16N2O3/c1-3-5-6-11-8(14-4-2)7(12)10-9(11)13/h8H,3-6H2,1-2H3,(H,10,12,13)
InChIKeyJDHRBXVWWZOSNI-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.70
Rot. Bonds5

About 1-butyl-5-ethoxyimidazolidine-2,4-dione

1-butyl-5-ethoxyimidazolidine-2,4-dione (PubChem CID 18425970) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-butyl-5-ethoxyimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-ethoxyimidazolidine-2,4-dione
PubChem CID18425970
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-butyl-5-ethoxyimidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(=O)C1OCC
InChIInChI=1S/C9H16N2O3/c1-3-5-6-11-8(14-4-2)7(12)10-9(11)13/h8H,3-6H2,1-2H3,(H,10,12,13)
InChIKeyJDHRBXVWWZOSNI-UHFFFAOYSA-N
XLogP0.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-ethoxyimidazolidine-2,4-dione?
The IUPAC name of 1-butyl-5-ethoxyimidazolidine-2,4-dione (CID 18425970) is 1-butyl-5-ethoxyimidazolidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-ethoxyimidazolidine-2,4-dione?
The canonical SMILES for 1-butyl-5-ethoxyimidazolidine-2,4-dione is CCCCN1C(=O)NC(=O)C1OCC.
What is the InChIKey of 1-butyl-5-ethoxyimidazolidine-2,4-dione?
The InChIKey is JDHRBXVWWZOSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-5-6-11-8(14-4-2)7(12)10-9(11)13/h8H,3-6H2,1-2H3,(H,10,12,13).
What are the key properties of 1-butyl-5-ethoxyimidazolidine-2,4-dione?
1-butyl-5-ethoxyimidazolidine-2,4-dione has a molecular weight of 200.24 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethoxyimidazolidine-2,4-dione is sourced from PubChem (CID 18425970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).