3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one

C20H22FNO4 — CID 88892922

IUPAC3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESC=C/C=C(\C=C/CF)Cc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)C2)o1
InChIInChI=1S/C20H22FNO4/c1-4-6-14(7-5-10-21)11-15-8-9-17(26-15)18(23)16-12-22(13(2)3)20(25)19(16)24/h4-9,13,24H,1,10-12H2,2-3H3/b7-5-,14-6+
InChIKeyHZMZTERDEGQWJC-CYMBIFCZSA-N
MW359.40 g/mol
LogP3.71
Rot. Bonds8

About 3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one

3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 88892922) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID88892922
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESC=C/C=C(\C=C/CF)Cc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)C2)o1
InChIInChI=1S/C20H22FNO4/c1-4-6-14(7-5-10-21)11-15-8-9-17(26-15)18(23)16-12-22(13(2)3)20(25)19(16)24/h4-9,13,24H,1,10-12H2,2-3H3/b7-5-,14-6+
InChIKeyHZMZTERDEGQWJC-CYMBIFCZSA-N
XLogP3.71
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (CID 88892922) is 3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is C=C/C=C(\C=C/CF)Cc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)C2)o1.
What is the InChIKey of 3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is HZMZTERDEGQWJC-CYMBIFCZSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-4-6-14(7-5-10-21)11-15-8-9-17(26-15)18(23)16-12-22(13(2)3)20(25)19(16)24/h4-9,13,24H,1,10-12H2,2-3H3/b7-5-,14-6+.
What are the key properties of 3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 359.40 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2Z)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 88892922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).