5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione

C13H13FN2O3 — CID 143989397

IUPAC5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione
SMILESC=C(C)/C(F)=C\c1oc(C2NC(=O)NC2=O)cc1C
InChIInChI=1S/C13H13FN2O3/c1-6(2)8(14)5-9-7(3)4-10(19-9)11-12(17)16-13(18)15-11/h4-5,11H,1H2,2-3H3,(H2,15,16,17,18)/b8-5+
InChIKeyWMZANYJZMZSCAR-VMPITWQZSA-N
MW264.26 g/mol
LogP2.36
Rot. Bonds3

About 5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione

5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione (PubChem CID 143989397) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione
PubChem CID143989397
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione
SMILESC=C(C)/C(F)=C\c1oc(C2NC(=O)NC2=O)cc1C
InChIInChI=1S/C13H13FN2O3/c1-6(2)8(14)5-9-7(3)4-10(19-9)11-12(17)16-13(18)15-11/h4-5,11H,1H2,2-3H3,(H2,15,16,17,18)/b8-5+
InChIKeyWMZANYJZMZSCAR-VMPITWQZSA-N
XLogP2.36
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione (CID 143989397) is 5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione is C=C(C)/C(F)=C\c1oc(C2NC(=O)NC2=O)cc1C.
What is the InChIKey of 5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione?
The InChIKey is WMZANYJZMZSCAR-VMPITWQZSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-6(2)8(14)5-9-7(3)4-10(19-9)11-12(17)16-13(18)15-11/h4-5,11H,1H2,2-3H3,(H2,15,16,17,18)/b8-5+.
What are the key properties of 5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione?
5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione has a molecular weight of 264.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-4-methylfuran-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 143989397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).