methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate

C13H13FN2O3 — CID 67577993

IUPACmethyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate
SMILESCOC(=O)/C=C/N1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C13H13FN2O3/c1-19-12(17)6-7-15-8-9-16(13(15)18)11-5-3-2-4-10(11)14/h2-7H,8-9H2,1H3/b7-6+
InChIKeyCCPKTADNYDEDGL-VOTSOKGWSA-N
MW264.26 g/mol
LogP1.75
Rot. Bonds3

About methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate

methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate (PubChem CID 67577993) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate
PubChem CID67577993
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Namemethyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate
SMILESCOC(=O)/C=C/N1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C13H13FN2O3/c1-19-12(17)6-7-15-8-9-16(13(15)18)11-5-3-2-4-10(11)14/h2-7H,8-9H2,1H3/b7-6+
InChIKeyCCPKTADNYDEDGL-VOTSOKGWSA-N
XLogP1.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate (CID 67577993) is methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate is COC(=O)/C=C/N1CCN(c2ccccc2F)C1=O.
What is the InChIKey of methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate?
The InChIKey is CCPKTADNYDEDGL-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-19-12(17)6-7-15-8-9-16(13(15)18)11-5-3-2-4-10(11)14/h2-7H,8-9H2,1H3/b7-6+.
What are the key properties of methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate?
methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate has a molecular weight of 264.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate is sourced from PubChem (CID 67577993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).