methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate

C21H18FNO2 — CID 22335623

IUPACmethyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)c(-c2ccccc2)c2n1CCC2
InChIInChI=1S/C21H18FNO2/c1-25-21(24)20-19(15-9-11-16(22)12-10-15)18(14-6-3-2-4-7-14)17-8-5-13-23(17)20/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyDSVDXLNMHRXLTE-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.69
Rot. Bonds3

About methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate

methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate (PubChem CID 22335623) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate
PubChem CID22335623
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Namemethyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)c(-c2ccccc2)c2n1CCC2
InChIInChI=1S/C21H18FNO2/c1-25-21(24)20-19(15-9-11-16(22)12-10-15)18(14-6-3-2-4-7-14)17-8-5-13-23(17)20/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyDSVDXLNMHRXLTE-UHFFFAOYSA-N
XLogP4.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-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 methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate (CID 22335623) is methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccccc2)c2n1CCC2.
What is the InChIKey of methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate?
The InChIKey is DSVDXLNMHRXLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-25-21(24)20-19(15-9-11-16(22)12-10-15)18(14-6-3-2-4-7-14)17-8-5-13-23(17)20/h2-4,6-7,9-12H,5,8,13H2,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate?
methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate has a molecular weight of 335.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate is sourced from PubChem (CID 22335623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).