1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione

C17H21N3O4 — CID 2663294

IUPAC1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione
SMILESCc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1C
InChIInChI=1S/C17H21N3O4/c1-10-8-13(11(2)18(10)3)14(21)9-19-15(22)16(23)20(17(19)24)12-6-4-5-7-12/h8,12H,4-7,9H2,1-3H3
InChIKeyIUQNJLYKBIZQLC-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.56
Rot. Bonds4

About 1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione

1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione (PubChem CID 2663294) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione
PubChem CID2663294
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione
SMILESCc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1C
InChIInChI=1S/C17H21N3O4/c1-10-8-13(11(2)18(10)3)14(21)9-19-15(22)16(23)20(17(19)24)12-6-4-5-7-12/h8,12H,4-7,9H2,1-3H3
InChIKeyIUQNJLYKBIZQLC-UHFFFAOYSA-N
XLogP1.56
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-3-[(1S,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 7799842
1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 31394641
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
CID 122148902
1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
CID 9398358
1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione
CID 34603406
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2438857
1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione
CID 34604510
2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653828
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 79943101
(5S,6R)-6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2648865
1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 34606806
3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 60627642

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione (CID 2663294) is 1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione is Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1C.
What is the InChIKey of 1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is IUQNJLYKBIZQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10-8-13(11(2)18(10)3)14(21)9-19-15(22)16(23)20(17(19)24)12-6-4-5-7-12/h8,12H,4-7,9H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione?
1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 331.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 2663294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).