3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione

C8H8FNO2 — CID 20686788

IUPAC3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione
SMILESC/C=C(\F)C1=CC(=O)N(C)C1=O
InChIInChI=1S/C8H8FNO2/c1-3-6(9)5-4-7(11)10(2)8(5)12/h3-4H,1-2H3/b6-3-
InChIKeyXKVBQTGOURKVGZ-UTCJRWHESA-N
MW169.15 g/mol
LogP0.78
Rot. Bonds1

About 3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione

3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione (PubChem CID 20686788) has the molecular formula C8H8FNO2 and a molecular weight of 169.15 g/mol. Its IUPAC name is 3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione
PubChem CID20686788
Molecular FormulaC8H8FNO2
Molecular Weight169.15 g/mol
Exact Mass169.05
IUPAC Name3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione
SMILESC/C=C(\F)C1=CC(=O)N(C)C1=O
InChIInChI=1S/C8H8FNO2/c1-3-6(9)5-4-7(11)10(2)8(5)12/h3-4H,1-2H3/b6-3-
InChIKeyXKVBQTGOURKVGZ-UTCJRWHESA-N
XLogP0.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyl-5-methylidene-4-(trifluoromethyl)pyridine-2,6-dione
CID 53810611
1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one
CID 91269404
5-fluoro-1-methyl-3-methylidene-2H-pyridin-6-one
CID 91455016
3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
CID 142365548
4-ethenyl-3-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
CID 142367669
3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione
CID 145278712
4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one
CID 146620664
3-[(E)-1-fluorobut-1-enyl]-1,4-dimethyl-2H-pyrrol-5-one
CID 155031148
4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one
CID 155031403
1-Acetyl-3-ethyl-5-fluoropyridin-2-one
CID 176905745
(2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide
CID 177348094
3-(1-Fluoroprop-1-enyl)-1-methylpyrrole-2,5-dione
CID 20686793

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione (CID 20686788) is 3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione is C/C=C(\F)C1=CC(=O)N(C)C1=O.
What is the InChIKey of 3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione?
The InChIKey is XKVBQTGOURKVGZ-UTCJRWHESA-N. The full InChI is InChI=1S/C8H8FNO2/c1-3-6(9)5-4-7(11)10(2)8(5)12/h3-4H,1-2H3/b6-3-.
What are the key properties of 3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione?
3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione has a molecular weight of 169.15 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 20686788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).