1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone

C12H13NO — CID 134950025

IUPAC1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone
SMILESC=C[C@H]1CC(C(C)=O)=C2C=CC=CN21
InChIInChI=1S/C12H13NO/c1-3-10-8-11(9(2)14)12-6-4-5-7-13(10)12/h3-7,10H,1,8H2,2H3/t10-/m0/s1
InChIKeyIXQZMZOXQOMIIJ-JTQLQIEISA-N
MW187.24 g/mol
LogP2.17
Rot. Bonds2

About 1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone

1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone (PubChem CID 134950025) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone
PubChem CID134950025
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone
SMILESC=C[C@H]1CC(C(C)=O)=C2C=CC=CN21
InChIInChI=1S/C12H13NO/c1-3-10-8-11(9(2)14)12-6-4-5-7-13(10)12/h3-7,10H,1,8H2,2H3/t10-/m0/s1
InChIKeyIXQZMZOXQOMIIJ-JTQLQIEISA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone (CID 134950025) is 1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone is C=C[C@H]1CC(C(C)=O)=C2C=CC=CN21.
What is the InChIKey of 1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone?
The InChIKey is IXQZMZOXQOMIIJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13NO/c1-3-10-8-11(9(2)14)12-6-4-5-7-13(10)12/h3-7,10H,1,8H2,2H3/t10-/m0/s1.
What are the key properties of 1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone?
1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone has a molecular weight of 187.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone is sourced from PubChem (CID 134950025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).