methyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

C14H17NO4 — CID 11543497

IUPACmethyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESC=C(C)Cc1c(C(=O)OC)c2n(c(=O)c1O)CCC2
InChIInChI=1S/C14H17NO4/c1-8(2)7-9-11(14(18)19-3)10-5-4-6-15(10)13(17)12(9)16/h16H,1,4-7H2,2-3H3
InChIKeyIWUHUXGTADUEJF-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.41
Rot. Bonds3

About methyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

methyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (PubChem CID 11543497) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
PubChem CID11543497
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESC=C(C)Cc1c(C(=O)OC)c2n(c(=O)c1O)CCC2
InChIInChI=1S/C14H17NO4/c1-8(2)7-9-11(14(18)19-3)10-5-4-6-15(10)13(17)12(9)16/h16H,1,4-7H2,2-3H3
InChIKeyIWUHUXGTADUEJF-UHFFFAOYSA-N
XLogP1.41
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The IUPAC name of methyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (CID 11543497) is methyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The canonical SMILES for methyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is C=C(C)Cc1c(C(=O)OC)c2n(c(=O)c1O)CCC2.
What is the InChIKey of methyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The InChIKey is IWUHUXGTADUEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8(2)7-9-11(14(18)19-3)10-5-4-6-15(10)13(17)12(9)16/h16H,1,4-7H2,2-3H3.
What are the key properties of methyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
methyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 11543497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).