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

C11H13F2NO3 — CID 164875787

IUPACethyl (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)[C@@]12CCC(=O)N1CC(=C(F)F)C2
InChIInChI=1S/C11H13F2NO3/c1-2-17-10(16)11-4-3-8(15)14(11)6-7(5-11)9(12)13/h2-6H2,1H3/t11-/m0/s1
InChIKeyUWHOSISFICGEMN-NSHDSACASA-N
MW245.22 g/mol
LogP1.47
Rot. Bonds2

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

ethyl (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate (PubChem CID 164875787) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is ethyl (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
PubChem CID164875787
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Nameethyl (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)[C@@]12CCC(=O)N1CC(=C(F)F)C2
InChIInChI=1S/C11H13F2NO3/c1-2-17-10(16)11-4-3-8(15)14(11)6-7(5-11)9(12)13/h2-6H2,1H3/t11-/m0/s1
InChIKeyUWHOSISFICGEMN-NSHDSACASA-N
XLogP1.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (8S)-6-(difluoromethylidene)-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 (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
The IUPAC name of ethyl (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate (CID 164875787) is ethyl (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
The canonical SMILES for ethyl (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate is CCOC(=O)[C@@]12CCC(=O)N1CC(=C(F)F)C2.
What is the InChIKey of ethyl (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
The InChIKey is UWHOSISFICGEMN-NSHDSACASA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-2-17-10(16)11-4-3-8(15)14(11)6-7(5-11)9(12)13/h2-6H2,1H3/t11-/m0/s1.
What are the key properties of ethyl (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
ethyl (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate has a molecular weight of 245.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (8S)-6-(difluoromethylidene)-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 164875787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).