ethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate

C19H19NO2 — CID 135066960

IUPACethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate
SMILESC=C[C@H]1CC(C(=O)OCC)=C2C=CC(c3ccccc3)=CN21
InChIInChI=1S/C19H19NO2/c1-3-16-12-17(19(21)22-4-2)18-11-10-15(13-20(16)18)14-8-6-5-7-9-14/h3,5-11,13,16H,1,4,12H2,2H3/t16-/m0/s1
InChIKeyFMERDNXMHXAPKZ-INIZCTEOSA-N
MW293.37 g/mol
LogP3.67
Rot. Bonds4

About ethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate

ethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate (PubChem CID 135066960) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate
PubChem CID135066960
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Nameethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate
SMILESC=C[C@H]1CC(C(=O)OCC)=C2C=CC(c3ccccc3)=CN21
InChIInChI=1S/C19H19NO2/c1-3-16-12-17(19(21)22-4-2)18-11-10-15(13-20(16)18)14-8-6-5-7-9-14/h3,5-11,13,16H,1,4,12H2,2H3/t16-/m0/s1
InChIKeyFMERDNXMHXAPKZ-INIZCTEOSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 86275037
1,2,6-Trimethyl-4-phenyl-1,2-dihydropyridine-3,5-dicarboxylic acid diethyl ester
CID 12828894
4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-5-methyl-1-(phenylmethyl)-, ethyl ester
CID 49837677
ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
CID 102147760
Ethyl 1-tert-butyl-5-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-4-carboxylate
CID 22228442
ethyl 4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pentanoate
CID 69755336
Methyl 1-benzyl-5-methyl-2,3-dihydropyrrole-4-carboxylate
CID 13115063
Methyl 1-benzyl-5-(3-methoxy-3-oxopropyl)-2,3-dihydropyrrole-4-carboxylate
CID 13969936
ethyl 1-benzyl-2,4-dimethyl-4H-pyridine-3-carboxylate
CID 14386650
ethyl (3aR,7S,7aS)-1-benzyl-7-iodo-2-methyl-3a,4,5,6,7,7a-hexahydroindole-3-carboxylate
CID 15226566
ethyl (4R)-1-benzyl-4-butyl-2-methyl-4H-pyridine-3-carboxylate
CID 51355799
diethyl (Z,4S)-4-[bis(2-phenylprop-2-enyl)amino]hept-2-enedioate
CID 71662350

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate?
The IUPAC name of ethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate (CID 135066960) is ethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate.
What is the SMILES notation for ethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate?
The canonical SMILES for ethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate is C=C[C@H]1CC(C(=O)OCC)=C2C=CC(c3ccccc3)=CN21.
What is the InChIKey of ethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate?
The InChIKey is FMERDNXMHXAPKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-16-12-17(19(21)22-4-2)18-11-10-15(13-20(16)18)14-8-6-5-7-9-14/h3,5-11,13,16H,1,4,12H2,2H3/t16-/m0/s1.
What are the key properties of ethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate?
ethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-ethenyl-6-phenyl-2,3-dihydroindolizine-1-carboxylate is sourced from PubChem (CID 135066960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).