ethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate

C10H16FNO2 — CID 170967180

IUPACethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/C1CCCN1C
InChIInChI=1S/C10H16FNO2/c1-3-14-10(13)9(11)7-8-5-4-6-12(8)2/h7-8H,3-6H2,1-2H3/b9-7-
InChIKeyDQOABNUAHRNPAR-CLFYSBASSA-N
MW201.24 g/mol
LogP1.50
Rot. Bonds3

About ethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate

ethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate (PubChem CID 170967180) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is ethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate
PubChem CID170967180
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Nameethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/C1CCCN1C
InChIInChI=1S/C10H16FNO2/c1-3-14-10(13)9(11)7-8-5-4-6-12(8)2/h7-8H,3-6H2,1-2H3/b9-7-
InChIKeyDQOABNUAHRNPAR-CLFYSBASSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-6-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]hex-2-enoate
CID 58778549
ethyl (Z)-2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-enoate
CID 59883063
ethyl 2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-enoate
CID 91243056
tert-butyl (2S,4R)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4-fluoropyrrolidine-1-carboxylate
CID 152738591
ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate
CID 164806138
tert-butyl 2-[(Z)-3-ethoxy-2-fluoro-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate
CID 170966942
ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate
CID 170967235
tert-butyl (2S,4S)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4-fluoropyrrolidine-1-carboxylate
CID 172140189
(2S)-2-[(Z)-3-ethoxy-2-fluoro-3-oxoprop-1-enyl]pyrrolidine-1-carboxylic acid
CID 174212545
(2S,4R)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 174215073
2-[(Z)-3-ethoxy-2-fluoro-3-oxoprop-1-enyl]pyrrolidine-1-carboxylic acid
CID 174227082
2-(3-Ethoxy-2-fluoro-3-oxoprop-1-enyl)pyrrolidine-1-carboxylic acid
CID 174229845

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate (CID 170967180) is ethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate is CCOC(=O)/C(F)=C/C1CCCN1C.
What is the InChIKey of ethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate?
The InChIKey is DQOABNUAHRNPAR-CLFYSBASSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-3-14-10(13)9(11)7-8-5-4-6-12(8)2/h7-8H,3-6H2,1-2H3/b9-7-.
What are the key properties of ethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate?
ethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate has a molecular weight of 201.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoate is sourced from PubChem (CID 170967180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).