methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate

C10H14FNO2 — CID 166095803

IUPACmethyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CN2CC(F)CC2(C(=O)OC)C1
InChIInChI=1S/C10H14FNO2/c1-7-3-10(9(13)14-2)4-8(11)6-12(10)5-7/h8H,1,3-6H2,2H3
InChIKeyTZMPSTXARITXRJ-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.90
Rot. Bonds1

About methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate

methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 166095803) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
PubChem CID166095803
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Namemethyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CN2CC(F)CC2(C(=O)OC)C1
InChIInChI=1S/C10H14FNO2/c1-7-3-10(9(13)14-2)4-8(11)6-12(10)5-7/h8H,1,3-6H2,2H3
InChIKeyTZMPSTXARITXRJ-UHFFFAOYSA-N
XLogP0.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 174267731
methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 170677374
fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene
CID 177213248
(2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 170356971
(2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 170356923
(2R,6R,8S)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 170357066
methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate
CID 15579856
ethyl 3,6-dimethylidene-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 118132077
dimethyl 3-butyl-4-methylidenecyclopentane-1,1-dicarboxylate
CID 24973751
(2R,8R)-2-fluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]-8-carboxylic acid
CID 174165292
methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate
CID 169171710
1-O-tert-butyl 2-O-methyl 4-fluoro-2-methylpyrrolidine-1,2-dicarboxylate
CID 123694667

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The IUPAC name of methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 166095803) is methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate.
What is the SMILES notation for methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The canonical SMILES for methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate is C=C1CN2CC(F)CC2(C(=O)OC)C1.
What is the InChIKey of methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The InChIKey is TZMPSTXARITXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-7-3-10(9(13)14-2)4-8(11)6-12(10)5-7/h8H,1,3-6H2,2H3.
What are the key properties of methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 199.22 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 166095803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).