1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one

C12H11FN2O2 — CID 162667859

IUPAC1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one
SMILESO=C(/C=C/c1ccc(F)cc1)N1CCNC1=O
InChIInChI=1S/C12H11FN2O2/c13-10-4-1-9(2-5-10)3-6-11(16)15-8-7-14-12(15)17/h1-6H,7-8H2,(H,14,17)/b6-3+
InChIKeyHBZYQLGWFGZEJA-ZZXKWVIFSA-N
MW234.23 g/mol
LogP1.39
Rot. Bonds2

About 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one

1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one (PubChem CID 162667859) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one
PubChem CID162667859
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one
SMILESO=C(/C=C/c1ccc(F)cc1)N1CCNC1=O
InChIInChI=1S/C12H11FN2O2/c13-10-4-1-9(2-5-10)3-6-11(16)15-8-7-14-12(15)17/h1-6H,7-8H2,(H,14,17)/b6-3+
InChIKeyHBZYQLGWFGZEJA-ZZXKWVIFSA-N
XLogP1.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one?
The IUPAC name of 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one (CID 162667859) is 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one is O=C(/C=C/c1ccc(F)cc1)N1CCNC1=O.
What is the InChIKey of 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one?
The InChIKey is HBZYQLGWFGZEJA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-10-4-1-9(2-5-10)3-6-11(16)15-8-7-14-12(15)17/h1-6H,7-8H2,(H,14,17)/b6-3+.
What are the key properties of 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one?
1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one has a molecular weight of 234.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one is sourced from PubChem (CID 162667859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).