4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one

C11H14FNO — CID 155031403

IUPAC4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCC1=C(/C=C\CF)C(=O)N(C)C1
InChIInChI=1S/C11H14FNO/c1-3-5-9-8-13(2)11(14)10(9)6-4-7-12/h3-4,6H,1,5,7-8H2,2H3/b6-4-
InChIKeyFYCMRXATEQTEEL-XQRVVYSFSA-N
MW195.24 g/mol
LogP1.86
Rot. Bonds4

About 4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one

4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one (PubChem CID 155031403) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one
PubChem CID155031403
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCC1=C(/C=C\CF)C(=O)N(C)C1
InChIInChI=1S/C11H14FNO/c1-3-5-9-8-13(2)11(14)10(9)6-4-7-12/h3-4,6H,1,5,7-8H2,2H3/b6-4-
InChIKeyFYCMRXATEQTEEL-XQRVVYSFSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one
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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one?
The IUPAC name of 4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one (CID 155031403) is 4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one?
The canonical SMILES for 4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one is C=CCC1=C(/C=C\CF)C(=O)N(C)C1.
What is the InChIKey of 4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one?
The InChIKey is FYCMRXATEQTEEL-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H14FNO/c1-3-5-9-8-13(2)11(14)10(9)6-4-7-12/h3-4,6H,1,5,7-8H2,2H3/b6-4-.
What are the key properties of 4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one?
4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one has a molecular weight of 195.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one is sourced from PubChem (CID 155031403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).