3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione

C9H14N2O3 — CID 171735403

IUPAC3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1CC(=O)N(C2COC2)C1=O
InChIInChI=1S/C9H14N2O3/c1-6(2)10-3-8(12)11(9(10)13)7-4-14-5-7/h6-7H,3-5H2,1-2H3
InChIKeyKQMOUTGILUAPKU-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.06
Rot. Bonds2

About 3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione

3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione (PubChem CID 171735403) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione
PubChem CID171735403
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1CC(=O)N(C2COC2)C1=O
InChIInChI=1S/C9H14N2O3/c1-6(2)10-3-8(12)11(9(10)13)7-4-14-5-7/h6-7H,3-5H2,1-2H3
InChIKeyKQMOUTGILUAPKU-UHFFFAOYSA-N
XLogP0.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.06
H-Bond Donors ≤ 50
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 3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione (CID 171735403) is 3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione is CC(C)N1CC(=O)N(C2COC2)C1=O.
What is the InChIKey of 3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is KQMOUTGILUAPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(2)10-3-8(12)11(9(10)13)7-4-14-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione?
3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 171735403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).