3-ethyl-5-propan-2-ylimidazolidine-2,4-dione

C8H14N2O2 — CID 15121817

IUPAC3-ethyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCCN1C(=O)NC(C(C)C)C1=O
InChIInChI=1S/C8H14N2O2/c1-4-10-7(11)6(5(2)3)9-8(10)12/h5-6H,4H2,1-3H3,(H,9,12)
InChIKeyHHBUFODCZBOERD-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.58
Rot. Bonds2

About 3-ethyl-5-propan-2-ylimidazolidine-2,4-dione

3-ethyl-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 15121817) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-ethyl-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID15121817
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-ethyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCCN1C(=O)NC(C(C)C)C1=O
InChIInChI=1S/C8H14N2O2/c1-4-10-7(11)6(5(2)3)9-8(10)12/h5-6H,4H2,1-3H3,(H,9,12)
InChIKeyHHBUFODCZBOERD-UHFFFAOYSA-N
XLogP0.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-ethyl-5-propan-2-ylimidazolidine-2,4-dione (CID 15121817) is 3-ethyl-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-propan-2-ylimidazolidine-2,4-dione is CCN1C(=O)NC(C(C)C)C1=O.
What is the InChIKey of 3-ethyl-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is HHBUFODCZBOERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-10-7(11)6(5(2)3)9-8(10)12/h5-6H,4H2,1-3H3,(H,9,12).
What are the key properties of 3-ethyl-5-propan-2-ylimidazolidine-2,4-dione?
3-ethyl-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 170.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 15121817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).