2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone

C16H19NO — CID 102092381

IUPAC2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone
SMILESC=C1CN2CCC[C@H]2[C@@H]1CC(=O)c1ccccc1
InChIInChI=1S/C16H19NO/c1-12-11-17-9-5-8-15(17)14(12)10-16(18)13-6-3-2-4-7-13/h2-4,6-7,14-15H,1,5,8-11H2/t14-,15+/m1/s1
InChIKeyZIPOPYYSFRGKLI-CABCVRRESA-N
MW241.33 g/mol
LogP2.91
Rot. Bonds3

About 2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone

2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone (PubChem CID 102092381) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone
PubChem CID102092381
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone
SMILESC=C1CN2CCC[C@H]2[C@@H]1CC(=O)c1ccccc1
InChIInChI=1S/C16H19NO/c1-12-11-17-9-5-8-15(17)14(12)10-16(18)13-6-3-2-4-7-13/h2-4,6-7,14-15H,1,5,8-11H2/t14-,15+/m1/s1
InChIKeyZIPOPYYSFRGKLI-CABCVRRESA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone 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 2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone (CID 102092381) is 2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone is C=C1CN2CCC[C@H]2[C@@H]1CC(=O)c1ccccc1.
What is the InChIKey of 2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone?
The InChIKey is ZIPOPYYSFRGKLI-CABCVRRESA-N. The full InChI is InChI=1S/C16H19NO/c1-12-11-17-9-5-8-15(17)14(12)10-16(18)13-6-3-2-4-7-13/h2-4,6-7,14-15H,1,5,8-11H2/t14-,15+/m1/s1.
What are the key properties of 2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone?
2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone has a molecular weight of 241.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,8S)-2-methylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]-1-phenylethanone is sourced from PubChem (CID 102092381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).