ethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate

C11H14FNO3 — CID 164943264

IUPACethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)[C@@]12CCC(=O)N1C/C(=C\F)C2
InChIInChI=1S/C11H14FNO3/c1-2-16-10(15)11-4-3-9(14)13(11)7-8(5-11)6-12/h6H,2-5,7H2,1H3/b8-6-/t11-/m0/s1
InChIKeyKQFQRHYYILEGIR-JYKYSHPRSA-N
MW227.23 g/mol
LogP1.17
Rot. Bonds2

About ethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate

ethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate (PubChem CID 164943264) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is ethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
PubChem CID164943264
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Nameethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)[C@@]12CCC(=O)N1C/C(=C\F)C2
InChIInChI=1S/C11H14FNO3/c1-2-16-10(15)11-4-3-9(14)13(11)7-8(5-11)6-12/h6H,2-5,7H2,1H3/b8-6-/t11-/m0/s1
InChIKeyKQFQRHYYILEGIR-JYKYSHPRSA-N
XLogP1.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-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 (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
The IUPAC name of ethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate (CID 164943264) is ethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
The canonical SMILES for ethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate is CCOC(=O)[C@@]12CCC(=O)N1C/C(=C\F)C2.
What is the InChIKey of ethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
The InChIKey is KQFQRHYYILEGIR-JYKYSHPRSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-2-16-10(15)11-4-3-9(14)13(11)7-8(5-11)6-12/h6H,2-5,7H2,1H3/b8-6-/t11-/m0/s1.
What are the key properties of ethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
ethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate has a molecular weight of 227.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6Z,8S)-6-(fluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 164943264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).