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

C11H16FNO2 — CID 118132084

IUPACethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CCC2(C(=O)OCC)CC(F)CN12
InChIInChI=1S/C11H16FNO2/c1-3-15-10(14)11-5-4-8(2)13(11)7-9(12)6-11/h9H,2-7H2,1H3
InChIKeySWHZHOZEPXCOFT-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.64
Rot. Bonds2

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

ethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 118132084) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is ethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
PubChem CID118132084
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Nameethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CCC2(C(=O)OCC)CC(F)CN12
InChIInChI=1S/C11H16FNO2/c1-3-15-10(14)11-5-4-8(2)13(11)7-9(12)6-11/h9H,2-7H2,1H3
InChIKeySWHZHOZEPXCOFT-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The IUPAC name of ethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 118132084) is ethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The canonical SMILES for ethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is C=C1CCC2(C(=O)OCC)CC(F)CN12.
What is the InChIKey of ethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The InChIKey is SWHZHOZEPXCOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-3-15-10(14)11-5-4-8(2)13(11)7-9(12)6-11/h9H,2-7H2,1H3.
What are the key properties of ethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
ethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 213.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 118132084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).