4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione

C9H8FNO2 — CID 143920343

IUPAC4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione
SMILESC/C=C\C1=C(/C=C/F)C(=O)C(=O)N1
InChIInChI=1S/C9H8FNO2/c1-2-3-7-6(4-5-10)8(12)9(13)11-7/h2-5H,1H3,(H,11,12,13)/b3-2-,5-4+
InChIKeyNVTOCLMOPDKNLG-AWYLAFAOSA-N
MW181.17 g/mol
LogP1.00
Rot. Bonds2

About 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione

4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione (PubChem CID 143920343) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione.

Molecular Properties

Compound Name4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione
PubChem CID143920343
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione
SMILESC/C=C\C1=C(/C=C/F)C(=O)C(=O)N1
InChIInChI=1S/C9H8FNO2/c1-2-3-7-6(4-5-10)8(12)9(13)11-7/h2-5H,1H3,(H,11,12,13)/b3-2-,5-4+
InChIKeyNVTOCLMOPDKNLG-AWYLAFAOSA-N
XLogP1.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1H-quinoline-2,5,8-trione
CID 10921303
2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide
CID 143751508
4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
CID 143920331
5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1,3-dihydropyrrol-2-one
CID 143920333
3-ethyl-1H-quinoline-2,5,8-trione
CID 10856574
N-[6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 167689652
6-Methyl-1,5-dihydroindol-5-ide-2,3-dione;yttrium
CID 57566048
Carbanide;1,5-dihydroindol-5-ide-2,3-dione;yttrium
CID 58201746
1,6-Dihydroindol-6-ide-2,3-dione;tungsten
CID 59075606
(2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide
CID 59753338
6-Methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten
CID 59855094
1,5-Dihydroindol-5-ide-2,3-dione;yttrium
CID 59896938

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione?
The IUPAC name of 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione (CID 143920343) is 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione.
What is the SMILES notation for 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione?
The canonical SMILES for 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione is C/C=C\C1=C(/C=C/F)C(=O)C(=O)N1.
What is the InChIKey of 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione?
The InChIKey is NVTOCLMOPDKNLG-AWYLAFAOSA-N. The full InChI is InChI=1S/C9H8FNO2/c1-2-3-7-6(4-5-10)8(12)9(13)11-7/h2-5H,1H3,(H,11,12,13)/b3-2-,5-4+.
What are the key properties of 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione?
4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione has a molecular weight of 181.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione is sourced from PubChem (CID 143920343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).