methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

C17H16FNO3 — CID 129080165

IUPACmethyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCOC(=O)c1cc(Cc2ccccc2F)c(=O)n2c1CCC2
InChIInChI=1S/C17H16FNO3/c1-22-17(21)13-10-12(9-11-5-2-3-6-14(11)18)16(20)19-8-4-7-15(13)19/h2-3,5-6,10H,4,7-9H2,1H3
InChIKeyDTBMUSYPGIAYJL-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.31
Rot. Bonds3

About methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (PubChem CID 129080165) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
PubChem CID129080165
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Namemethyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCOC(=O)c1cc(Cc2ccccc2F)c(=O)n2c1CCC2
InChIInChI=1S/C17H16FNO3/c1-22-17(21)13-10-12(9-11-5-2-3-6-14(11)18)16(20)19-8-4-7-15(13)19/h2-3,5-6,10H,4,7-9H2,1H3
InChIKeyDTBMUSYPGIAYJL-UHFFFAOYSA-N
XLogP2.31
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The IUPAC name of methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (CID 129080165) is methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.
What is the SMILES notation for methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The canonical SMILES for methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is COC(=O)c1cc(Cc2ccccc2F)c(=O)n2c1CCC2.
What is the InChIKey of methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The InChIKey is DTBMUSYPGIAYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-22-17(21)13-10-12(9-11-5-2-3-6-14(11)18)16(20)19-8-4-7-15(13)19/h2-3,5-6,10H,4,7-9H2,1H3.
What are the key properties of methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate has a molecular weight of 301.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 129080165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).