5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

C13H17N3O3 — CID 60623089

IUPAC5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CC(=O)c2cccn2C)C1=O
InChIInChI=1S/C13H17N3O3/c1-4-13(2)11(18)16(12(19)14-13)8-10(17)9-6-5-7-15(9)3/h5-7H,4,8H2,1-3H3,(H,14,19)
InChIKeyGRONKYYXDIOPRM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.93
Rot. Bonds4

About 5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 60623089) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID60623089
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CC(=O)c2cccn2C)C1=O
InChIInChI=1S/C13H17N3O3/c1-4-13(2)11(18)16(12(19)14-13)8-10(17)9-6-5-7-15(9)3/h5-7H,4,8H2,1-3H3,(H,14,19)
InChIKeyGRONKYYXDIOPRM-UHFFFAOYSA-N
XLogP0.93
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 60623089) is 5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione is CCC1(C)NC(=O)N(CC(=O)c2cccn2C)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is GRONKYYXDIOPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-13(2)11(18)16(12(19)14-13)8-10(17)9-6-5-7-15(9)3/h5-7H,4,8H2,1-3H3,(H,14,19).
What are the key properties of 5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 60623089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).