2-phenylethyl indolizine-6-carboxylate

C17H15NO2 — CID 127257807

IUPAC2-phenylethyl indolizine-6-carboxylate
SMILESO=C(OCCc1ccccc1)c1ccc2cccn2c1
InChIInChI=1S/C17H15NO2/c19-17(20-12-10-14-5-2-1-3-6-14)15-8-9-16-7-4-11-18(16)13-15/h1-9,11,13H,10,12H2
InChIKeyCBBSJXPPQIVNEK-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.34
Rot. Bonds4

About 2-phenylethyl indolizine-6-carboxylate

2-phenylethyl indolizine-6-carboxylate (PubChem CID 127257807) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-phenylethyl indolizine-6-carboxylate.

Molecular Properties

Compound Name2-phenylethyl indolizine-6-carboxylate
PubChem CID127257807
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-phenylethyl indolizine-6-carboxylate
SMILESO=C(OCCc1ccccc1)c1ccc2cccn2c1
InChIInChI=1S/C17H15NO2/c19-17(20-12-10-14-5-2-1-3-6-14)15-8-9-16-7-4-11-18(16)13-15/h1-9,11,13H,10,12H2
InChIKeyCBBSJXPPQIVNEK-UHFFFAOYSA-N
XLogP3.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylethyl 4-hydroxybenzoate
CID 11977778
2-phenylethyl 1-carbamoylpyrazole-4-carboxylate
CID 69229129
2-phenylethyl 4-(methylsulfonylmethyl)benzoate
CID 78776770
acetic acid;2-phenylethyl acetate
CID 174791962
butyl 2-phenylindolizine-6-carboxylate
CID 5272720
3-phenylpropyl 4-chlorobenzoate
CID 576426
bis(2-phenylethyl) pyridine-2,4-dicarboxylate
CID 69102039
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-phenylethyl acetate
CID 7654
[4-(2-phenylethoxycarbonyl)phenyl] 2-bromobenzoate
CID 17143087
2-benzoyloxyethyl benzoate;ethene
CID 67969171

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl indolizine-6-carboxylate?
The IUPAC name of 2-phenylethyl indolizine-6-carboxylate (CID 127257807) is 2-phenylethyl indolizine-6-carboxylate.
What is the SMILES notation for 2-phenylethyl indolizine-6-carboxylate?
The canonical SMILES for 2-phenylethyl indolizine-6-carboxylate is O=C(OCCc1ccccc1)c1ccc2cccn2c1.
What is the InChIKey of 2-phenylethyl indolizine-6-carboxylate?
The InChIKey is CBBSJXPPQIVNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20-12-10-14-5-2-1-3-6-14)15-8-9-16-7-4-11-18(16)13-15/h1-9,11,13H,10,12H2.
What are the key properties of 2-phenylethyl indolizine-6-carboxylate?
2-phenylethyl indolizine-6-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl indolizine-6-carboxylate is sourced from PubChem (CID 127257807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).