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

C10H14N2O4 — CID 62342706

IUPAC(E)-4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid
SMILESCCCC1NC(=O)N(C/C=C/C(=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)/b5-3+
InChIKeyFNDUUQLSQXNJJW-HWKANZROSA-N
MW226.23 g/mol
LogP0.35
Rot. Bonds5

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

(E)-4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid (PubChem CID 62342706) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is (E)-4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid
PubChem CID62342706
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name(E)-4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid
SMILESCCCC1NC(=O)N(C/C=C/C(=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)/b5-3+
InChIKeyFNDUUQLSQXNJJW-HWKANZROSA-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 (E)-4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid?
The IUPAC name of (E)-4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid (CID 62342706) is (E)-4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid.
What is the SMILES notation for (E)-4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid?
The canonical SMILES for (E)-4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid is CCCC1NC(=O)N(C/C=C/C(=O)O)C1=O.
What is the InChIKey of (E)-4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid?
The InChIKey is FNDUUQLSQXNJJW-HWKANZROSA-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)/b5-3+.
What are the key properties of (E)-4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid?
(E)-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 (E)-4-(2,5-dioxo-4-propylimidazolidin-1-yl)but-2-enoic acid is sourced from PubChem (CID 62342706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).