(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one

C17H16FNO2 — CID 2324886

IUPAC(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)N1CCCC1
InChIInChI=1S/C17H16FNO2/c18-14-5-3-13(4-6-14)16-9-7-15(21-16)8-10-17(20)19-11-1-2-12-19/h3-10H,1-2,11-12H2/b10-8+
InChIKeyGMUJCCQHMRCMCI-CSKARUKUSA-N
MW285.32 g/mol
LogP3.72
Rot. Bonds3

About (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one

(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one (PubChem CID 2324886) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one
PubChem CID2324886
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)N1CCCC1
InChIInChI=1S/C17H16FNO2/c18-14-5-3-13(4-6-14)16-9-7-15(21-16)8-10-17(20)19-11-1-2-12-19/h3-10H,1-2,11-12H2/b10-8+
InChIKeyGMUJCCQHMRCMCI-CSKARUKUSA-N
XLogP3.72
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
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 (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one (CID 2324886) is (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)N1CCCC1.
What is the InChIKey of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one?
The InChIKey is GMUJCCQHMRCMCI-CSKARUKUSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-14-5-3-13(4-6-14)16-9-7-15(21-16)8-10-17(20)19-11-1-2-12-19/h3-10H,1-2,11-12H2/b10-8+.
What are the key properties of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one?
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one has a molecular weight of 285.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 2324886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).