3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid

C22H19NO2 — CID 67855991

IUPAC3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2
InChIInChI=1S/C22H19NO2/c24-20(25)14-13-19-22(17-10-5-2-6-11-17)21(16-8-3-1-4-9-16)18-12-7-15-23(18)19/h1-6,8-11,13-14H,7,12,15H2,(H,24,25)
InChIKeyWIPNTYCUMGNXKO-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.87
Rot. Bonds4

About 3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid

3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid (PubChem CID 67855991) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid
PubChem CID67855991
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2
InChIInChI=1S/C22H19NO2/c24-20(25)14-13-19-22(17-10-5-2-6-11-17)21(16-8-3-1-4-9-16)18-12-7-15-23(18)19/h1-6,8-11,13-14H,7,12,15H2,(H,24,25)
InChIKeyWIPNTYCUMGNXKO-UHFFFAOYSA-N
XLogP4.87
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid 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 3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid?
The IUPAC name of 3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid (CID 67855991) is 3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid?
The canonical SMILES for 3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid is O=C(O)C=Cc1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2.
What is the InChIKey of 3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid?
The InChIKey is WIPNTYCUMGNXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c24-20(25)14-13-19-22(17-10-5-2-6-11-17)21(16-8-3-1-4-9-16)18-12-7-15-23(18)19/h1-6,8-11,13-14H,7,12,15H2,(H,24,25).
What are the key properties of 3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid?
3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid has a molecular weight of 329.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 67855991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).