butyl 2-phenylindolizine-6-carboxylate

C19H19NO2 — CID 5272720

IUPACbutyl 2-phenylindolizine-6-carboxylate
SMILESCCCCOC(=O)c1ccc2cc(-c3ccccc3)cn2c1
InChIInChI=1S/C19H19NO2/c1-2-3-11-22-19(21)16-9-10-18-12-17(14-20(18)13-16)15-7-5-4-6-8-15/h4-10,12-14H,2-3,11H2,1H3
InChIKeyRDSKITVBAQPRIK-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.56
Rot. Bonds5

About butyl 2-phenylindolizine-6-carboxylate

butyl 2-phenylindolizine-6-carboxylate (PubChem CID 5272720) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is butyl 2-phenylindolizine-6-carboxylate.

Molecular Properties

Compound Namebutyl 2-phenylindolizine-6-carboxylate
PubChem CID5272720
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Namebutyl 2-phenylindolizine-6-carboxylate
SMILESCCCCOC(=O)c1ccc2cc(-c3ccccc3)cn2c1
InChIInChI=1S/C19H19NO2/c1-2-3-11-22-19(21)16-9-10-18-12-17(14-20(18)13-16)15-7-5-4-6-8-15/h4-10,12-14H,2-3,11H2,1H3
InChIKeyRDSKITVBAQPRIK-UHFFFAOYSA-N
XLogP4.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;butyl benzoate
CID 67401065
(111C)butyl benzoate
CID 11994383
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
butyl benzoate;methane
CID 174523775
butyl benzoate;dihydrochloride
CID 141031125
butyl benzoate;hexyl benzoate
CID 22163024
decyl 4-(4-benzoyloxyphenyl)benzoate
CID 102207289
hexadecyl 4-(4-hexadecoxycarbonylphenyl)benzoate
CID 3498087
methanol;pentyl benzoate
CID 175222419
hexyl benzoate
CID 23235
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080
CID 172820816
CID 172820816

Frequently Asked Questions

What is the IUPAC name of butyl 2-phenylindolizine-6-carboxylate?
The IUPAC name of butyl 2-phenylindolizine-6-carboxylate (CID 5272720) is butyl 2-phenylindolizine-6-carboxylate.
What is the SMILES notation for butyl 2-phenylindolizine-6-carboxylate?
The canonical SMILES for butyl 2-phenylindolizine-6-carboxylate is CCCCOC(=O)c1ccc2cc(-c3ccccc3)cn2c1.
What is the InChIKey of butyl 2-phenylindolizine-6-carboxylate?
The InChIKey is RDSKITVBAQPRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-3-11-22-19(21)16-9-10-18-12-17(14-20(18)13-16)15-7-5-4-6-8-15/h4-10,12-14H,2-3,11H2,1H3.
What are the key properties of butyl 2-phenylindolizine-6-carboxylate?
butyl 2-phenylindolizine-6-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-phenylindolizine-6-carboxylate is sourced from PubChem (CID 5272720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).