ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

C22H21NO2 — CID 151433800

IUPACethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)C1CCn2cc(-c3ccccc3)c(-c3ccccc3)c21
InChIInChI=1S/C22H21NO2/c1-2-25-22(24)18-13-14-23-15-19(16-9-5-3-6-10-16)20(21(18)23)17-11-7-4-8-12-17/h3-12,15,18H,2,13-14H2,1H3
InChIKeyPDBJNJFAYGHGIM-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.87
Rot. Bonds4

About ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate (PubChem CID 151433800) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
PubChem CID151433800
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Nameethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)C1CCn2cc(-c3ccccc3)c(-c3ccccc3)c21
InChIInChI=1S/C22H21NO2/c1-2-25-22(24)18-13-14-23-15-19(16-9-5-3-6-10-16)20(21(18)23)17-11-7-4-8-12-17/h3-12,15,18H,2,13-14H2,1H3
InChIKeyPDBJNJFAYGHGIM-UHFFFAOYSA-N
XLogP4.87
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 13077382
diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate
CID 23045730
ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate
CID 18325913
ethyl 3-benzoyl-2-oxocyclopentane-1-carboxylate
CID 22897624
ethyl 4-acetyloxy-2-phenylcyclohex-2-ene-1-carboxylate
CID 18325843
ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate
CID 91161439
1-O-benzyl 3-O-ethyl 2-oxopyrrolidine-1,3-dicarboxylate
CID 70453490
methyl 7-(2-ethoxy-2-oxoacetyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 172829635
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024
diethyl (6R,8S)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulene-6,8-dicarboxylate
CID 92522808
diethyl 6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1,9-dicarboxylate
CID 70536042
ethyl 2-oxo-4-phenyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-10-carboxylate
CID 2840804

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The IUPAC name of ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate (CID 151433800) is ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate.
What is the SMILES notation for ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The canonical SMILES for ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate is CCOC(=O)C1CCn2cc(-c3ccccc3)c(-c3ccccc3)c21.
What is the InChIKey of ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The InChIKey is PDBJNJFAYGHGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-2-25-22(24)18-13-14-23-15-19(16-9-5-3-6-10-16)20(21(18)23)17-11-7-4-8-12-17/h3-12,15,18H,2,13-14H2,1H3.
What are the key properties of ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate is sourced from PubChem (CID 151433800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).