methyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate

C12H13NO2 — CID 122384244

IUPACmethyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate
SMILESC=C[C@H]1CC(C(=O)OC)=C2C=CC=CN21
InChIInChI=1S/C12H13NO2/c1-3-9-8-10(12(14)15-2)11-6-4-5-7-13(9)11/h3-7,9H,1,8H2,2H3/t9-/m0/s1
InChIKeyYNKFHDSEPSDQGW-VIFPVBQESA-N
MW203.24 g/mol
LogP1.76
Rot. Bonds2

About methyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate

methyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate (PubChem CID 122384244) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate
PubChem CID122384244
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate
SMILESC=C[C@H]1CC(C(=O)OC)=C2C=CC=CN21
InChIInChI=1S/C12H13NO2/c1-3-9-8-10(12(14)15-2)11-6-4-5-7-13(9)11/h3-7,9H,1,8H2,2H3/t9-/m0/s1
InChIKeyYNKFHDSEPSDQGW-VIFPVBQESA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate?
The IUPAC name of methyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate (CID 122384244) is methyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate.
What is the SMILES notation for methyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate?
The canonical SMILES for methyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate is C=C[C@H]1CC(C(=O)OC)=C2C=CC=CN21.
What is the InChIKey of methyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate?
The InChIKey is YNKFHDSEPSDQGW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-9-8-10(12(14)15-2)11-6-4-5-7-13(9)11/h3-7,9H,1,8H2,2H3/t9-/m0/s1.
What are the key properties of methyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate?
methyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-ethenyl-2,3-dihydroindolizine-1-carboxylate is sourced from PubChem (CID 122384244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).