4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde

C10H10FNO2 — CID 143920330

IUPAC4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde
SMILESC/C=C\C1=C(/C=C/F)C(C=O)C(=O)N1
InChIInChI=1S/C10H10FNO2/c1-2-3-9-7(4-5-11)8(6-13)10(14)12-9/h2-6,8H,1H3,(H,12,14)/b3-2-,5-4+
InChIKeyIAWDMFIGAVWFPO-AWYLAFAOSA-N
MW195.19 g/mol
LogP1.24
Rot. Bonds3

About 4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde

4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde (PubChem CID 143920330) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde.

Molecular Properties

Compound Name4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde
PubChem CID143920330
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde
SMILESC/C=C\C1=C(/C=C/F)C(C=O)C(=O)N1
InChIInChI=1S/C10H10FNO2/c1-2-3-9-7(4-5-11)8(6-13)10(14)12-9/h2-6,8H,1H3,(H,12,14)/b3-2-,5-4+
InChIKeyIAWDMFIGAVWFPO-AWYLAFAOSA-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 4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde?
The IUPAC name of 4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde (CID 143920330) is 4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde.
What is the SMILES notation for 4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde?
The canonical SMILES for 4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde is C/C=C\C1=C(/C=C/F)C(C=O)C(=O)N1.
What is the InChIKey of 4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde?
The InChIKey is IAWDMFIGAVWFPO-AWYLAFAOSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-2-3-9-7(4-5-11)8(6-13)10(14)12-9/h2-6,8H,1H3,(H,12,14)/b3-2-,5-4+.
What are the key properties of 4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde?
4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-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 4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde is sourced from PubChem (CID 143920330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).