5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione

C15H16N2O5 — CID 42900412

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione
SMILESCC(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C15H16N2O5/c1-9(18)8-17-13(19)15(2,16-14(17)20)10-3-4-11-12(7-10)22-6-5-21-11/h3-4,7H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyANZCCIVWEWKPQH-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.81
Rot. Bonds3

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione (PubChem CID 42900412) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione
PubChem CID42900412
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione
SMILESCC(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C15H16N2O5/c1-9(18)8-17-13(19)15(2,16-14(17)20)10-3-4-11-12(7-10)22-6-5-21-11/h3-4,7H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyANZCCIVWEWKPQH-UHFFFAOYSA-N
XLogP0.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione (CID 42900412) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione is CC(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione?
The InChIKey is ANZCCIVWEWKPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-9(18)8-17-13(19)15(2,16-14(17)20)10-3-4-11-12(7-10)22-6-5-21-11/h3-4,7H,5-6,8H2,1-2H3,(H,16,20).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione has a molecular weight of 304.30 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-oxopropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42900412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).