3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione

C15H21N3O3 — CID 60627642

IUPAC3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CC(=O)c2cc(C)n(C)c2C)C1=O
InChIInChI=1S/C15H21N3O3/c1-5-6-12-14(20)18(15(21)16-12)8-13(19)11-7-9(2)17(4)10(11)3/h7,12H,5-6,8H2,1-4H3,(H,16,21)
InChIKeyRPFLNSJUFQIWEF-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.55
Rot. Bonds5

About 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione

3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione (PubChem CID 60627642) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione
PubChem CID60627642
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CC(=O)c2cc(C)n(C)c2C)C1=O
InChIInChI=1S/C15H21N3O3/c1-5-6-12-14(20)18(15(21)16-12)8-13(19)11-7-9(2)17(4)10(11)3/h7,12H,5-6,8H2,1-4H3,(H,16,21)
InChIKeyRPFLNSJUFQIWEF-UHFFFAOYSA-N
XLogP1.55
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.55
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 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione (CID 60627642) is 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(CC(=O)c2cc(C)n(C)c2C)C1=O.
What is the InChIKey of 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is RPFLNSJUFQIWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-5-6-12-14(20)18(15(21)16-12)8-13(19)11-7-9(2)17(4)10(11)3/h7,12H,5-6,8H2,1-4H3,(H,16,21).
What are the key properties of 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione?
3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 291.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 60627642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).