methyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate

C11H14FNO2 — CID 143897858

IUPACmethyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate
SMILESC=C(F)C1=C(/C=C\C)CN(C(=O)OC)C1
InChIInChI=1S/C11H14FNO2/c1-4-5-9-6-13(11(14)15-3)7-10(9)8(2)12/h4-5H,2,6-7H2,1,3H3/b5-4-
InChIKeyWFQCUXWAWJOQHO-PLNGDYQASA-N
MW211.24 g/mol
LogP2.42
Rot. Bonds2

About methyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate

methyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate (PubChem CID 143897858) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is methyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate
PubChem CID143897858
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namemethyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate
SMILESC=C(F)C1=C(/C=C\C)CN(C(=O)OC)C1
InChIInChI=1S/C11H14FNO2/c1-4-5-9-6-13(11(14)15-3)7-10(9)8(2)12/h4-5H,2,6-7H2,1,3H3/b5-4-
InChIKeyWFQCUXWAWJOQHO-PLNGDYQASA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate?
The IUPAC name of methyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate (CID 143897858) is methyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate.
What is the SMILES notation for methyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate?
The canonical SMILES for methyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate is C=C(F)C1=C(/C=C\C)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate?
The InChIKey is WFQCUXWAWJOQHO-PLNGDYQASA-N. The full InChI is InChI=1S/C11H14FNO2/c1-4-5-9-6-13(11(14)15-3)7-10(9)8(2)12/h4-5H,2,6-7H2,1,3H3/b5-4-.
What are the key properties of methyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate?
methyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate has a molecular weight of 211.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 143897858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).