5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde

C10H10FNO2 — CID 143920332

IUPAC5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde
SMILESC=CC1=C(/C=C(\C)F)C(C=O)C(=O)N1
InChIInChI=1S/C10H10FNO2/c1-3-9-7(4-6(2)11)8(5-13)10(14)12-9/h3-5,8H,1H2,2H3,(H,12,14)/b6-4+
InChIKeyDPANXHBOCTVKEH-GQCTYLIASA-N
MW195.19 g/mol
LogP1.24
Rot. Bonds3

About 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde

5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde (PubChem CID 143920332) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde.

Molecular Properties

Compound Name5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde
PubChem CID143920332
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde
SMILESC=CC1=C(/C=C(\C)F)C(C=O)C(=O)N1
InChIInChI=1S/C10H10FNO2/c1-3-9-7(4-6(2)11)8(5-13)10(14)12-9/h3-5,8H,1H2,2H3,(H,12,14)/b6-4+
InChIKeyDPANXHBOCTVKEH-GQCTYLIASA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde?
The IUPAC name of 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde (CID 143920332) is 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde.
What is the SMILES notation for 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde?
The canonical SMILES for 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde is C=CC1=C(/C=C(\C)F)C(C=O)C(=O)N1.
What is the InChIKey of 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde?
The InChIKey is DPANXHBOCTVKEH-GQCTYLIASA-N. The full InChI is InChI=1S/C10H10FNO2/c1-3-9-7(4-6(2)11)8(5-13)10(14)12-9/h3-5,8H,1H2,2H3,(H,12,14)/b6-4+.
What are the key properties of 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde?
5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde has a molecular weight of 195.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde is sourced from PubChem (CID 143920332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).