(1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C16H19NO2 — CID 11010637

IUPAC(1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC=C[C@H]1[C@@H](OCc2ccccc2)C(=O)N2CCC[C@@H]12
InChIInChI=1S/C16H19NO2/c1-2-13-14-9-6-10-17(14)16(18)15(13)19-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2/t13-,14+,15-/m1/s1
InChIKeyOGLORFCUSGNYNJ-QLFBSQMISA-N
MW257.33 g/mol
LogP2.38
Rot. Bonds4

About (1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 11010637) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID11010637
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC=C[C@H]1[C@@H](OCc2ccccc2)C(=O)N2CCC[C@@H]12
InChIInChI=1S/C16H19NO2/c1-2-13-14-9-6-10-17(14)16(18)15(13)19-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2/t13-,14+,15-/m1/s1
InChIKeyOGLORFCUSGNYNJ-QLFBSQMISA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one 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 (1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 11010637) is (1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is C=C[C@H]1[C@@H](OCc2ccccc2)C(=O)N2CCC[C@@H]12.
What is the InChIKey of (1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is OGLORFCUSGNYNJ-QLFBSQMISA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-13-14-9-6-10-17(14)16(18)15(13)19-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2/t13-,14+,15-/m1/s1.
What are the key properties of (1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 257.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,8S)-1-ethenyl-2-phenylmethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 11010637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).