4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid

C10H14N2O4 — CID 76940757

IUPAC4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid
SMILESCCCC1NC(=O)N(CC=CC(=O)O)C1=O
InChIInChI=1S/C10H14N2O4/c1-2-4-7-9(15)12(10(16)11-7)6-3-5-8(13)14/h3,5,7H,2,4,6H2,1H3,(H,11,16)(H,13,14)
InChIKeyFNDUUQLSQXNJJW-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.35
Rot. Bonds5

About 4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid

4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid (PubChem CID 76940757) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid.

Molecular Properties

Compound Name4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid
PubChem CID76940757
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid
SMILESCCCC1NC(=O)N(CC=CC(=O)O)C1=O
InChIInChI=1S/C10H14N2O4/c1-2-4-7-9(15)12(10(16)11-7)6-3-5-8(13)14/h3,5,7H,2,4,6H2,1H3,(H,11,16)(H,13,14)
InChIKeyFNDUUQLSQXNJJW-UHFFFAOYSA-N
XLogP0.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid?
The IUPAC name of 4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid (CID 76940757) is 4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid.
What is the SMILES notation for 4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid?
The canonical SMILES for 4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid is CCCC1NC(=O)N(CC=CC(=O)O)C1=O.
What is the InChIKey of 4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid?
The InChIKey is FNDUUQLSQXNJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-4-7-9(15)12(10(16)11-7)6-3-5-8(13)14/h3,5,7H,2,4,6H2,1H3,(H,11,16)(H,13,14).
What are the key properties of 4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid?
4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid is sourced from PubChem (CID 76940757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).