5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione

C12H15N3O3 — CID 157320415

IUPAC5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione
SMILESCC(=O)CCC1(C2=CC(C)C=N2)NC(=O)NC1=O
InChIInChI=1S/C12H15N3O3/c1-7-5-9(13-6-7)12(4-3-8(2)16)10(17)14-11(18)15-12/h5-7H,3-4H2,1-2H3,(H2,14,15,17,18)
InChIKeyUFXTYOGXGHBBIZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.54
Rot. Bonds4

About 5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione

5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione (PubChem CID 157320415) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione
PubChem CID157320415
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione
SMILESCC(=O)CCC1(C2=CC(C)C=N2)NC(=O)NC1=O
InChIInChI=1S/C12H15N3O3/c1-7-5-9(13-6-7)12(4-3-8(2)16)10(17)14-11(18)15-12/h5-7H,3-4H2,1-2H3,(H2,14,15,17,18)
InChIKeyUFXTYOGXGHBBIZ-UHFFFAOYSA-N
XLogP0.54
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid
CID 121449056
3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid
CID 71692549
5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677215
(5S)-5-ethyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7128778
5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 156823207
4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 54049258
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-(4-methylphenyl)propanamide
CID 110677254
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-ethyl-N-phenylpropanamide
CID 110677266
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-pyridin-2-ylpropanamide
CID 110677297
5,5-diacetylimidazolidine-2,4-dione
CID 67695660
N-benzyl-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
CID 110677217
10-(1H-imidazol-5-yl)decan-2-one
CID 170211337

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione (CID 157320415) is 5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione is CC(=O)CCC1(C2=CC(C)C=N2)NC(=O)NC1=O.
What is the InChIKey of 5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione?
The InChIKey is UFXTYOGXGHBBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7-5-9(13-6-7)12(4-3-8(2)16)10(17)14-11(18)15-12/h5-7H,3-4H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione?
5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 157320415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).