3-(oxan-2-ylmethyl)imidazolidine-2,4-dione

C9H14N2O3 — CID 103601172

IUPAC3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC1CCCCO1
InChIInChI=1S/C9H14N2O3/c12-8-5-10-9(13)11(8)6-7-3-1-2-4-14-7/h7H,1-6H2,(H,10,13)
InChIKeyBQPSPNUHTCMCIK-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.11
Rot. Bonds2

About 3-(oxan-2-ylmethyl)imidazolidine-2,4-dione

3-(oxan-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 103601172) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(oxan-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID103601172
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC1CCCCO1
InChIInChI=1S/C9H14N2O3/c12-8-5-10-9(13)11(8)6-7-3-1-2-4-14-7/h7H,1-6H2,(H,10,13)
InChIKeyBQPSPNUHTCMCIK-UHFFFAOYSA-N
XLogP0.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.11
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 3-(oxan-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(oxan-2-ylmethyl)imidazolidine-2,4-dione (CID 103601172) is 3-(oxan-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(oxan-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(oxan-2-ylmethyl)imidazolidine-2,4-dione is O=C1CNC(=O)N1CC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is BQPSPNUHTCMCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-8-5-10-9(13)11(8)6-7-3-1-2-4-14-7/h7H,1-6H2,(H,10,13).
What are the key properties of 3-(oxan-2-ylmethyl)imidazolidine-2,4-dione?
3-(oxan-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 103601172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).