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

C10H14FNO3 — CID 118109396

IUPACethyl 2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESCCOC(=O)C12CCC(=O)N1CC(F)C2
InChIInChI=1S/C10H14FNO3/c1-2-15-9(14)10-4-3-8(13)12(10)6-7(11)5-10/h7H,2-6H2,1H3
InChIKeyAMVVXLSSVZDGEQ-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.65
Rot. Bonds2

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

ethyl 2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 118109396) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is ethyl 2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
PubChem CID118109396
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Nameethyl 2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESCCOC(=O)C12CCC(=O)N1CC(F)C2
InChIInChI=1S/C10H14FNO3/c1-2-15-9(14)10-4-3-8(13)12(10)6-7(11)5-10/h7H,2-6H2,1H3
InChIKeyAMVVXLSSVZDGEQ-UHFFFAOYSA-N
XLogP0.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The IUPAC name of ethyl 2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 118109396) is ethyl 2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl 2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The canonical SMILES for ethyl 2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is CCOC(=O)C12CCC(=O)N1CC(F)C2.
What is the InChIKey of ethyl 2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The InChIKey is AMVVXLSSVZDGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-2-15-9(14)10-4-3-8(13)12(10)6-7(11)5-10/h7H,2-6H2,1H3.
What are the key properties of ethyl 2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
ethyl 2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 215.22 g/mol, XLogP of 0.65, 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-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 118109396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).