methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

C11H14N2O3 — CID 59975131

IUPACmethyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCNc1ccc2n(c1=O)C(C(=O)OC)CC2
InChIInChI=1S/C11H14N2O3/c1-12-8-5-3-7-4-6-9(11(15)16-2)13(7)10(8)14/h3,5,9,12H,4,6H2,1-2H3
InChIKeyJKYJVMKEJKVGMU-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.55
Rot. Bonds2

About methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 59975131) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID59975131
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCNc1ccc2n(c1=O)C(C(=O)OC)CC2
InChIInChI=1S/C11H14N2O3/c1-12-8-5-3-7-4-6-9(11(15)16-2)13(7)10(8)14/h3,5,9,12H,4,6H2,1-2H3
InChIKeyJKYJVMKEJKVGMU-UHFFFAOYSA-N
XLogP0.55
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 59975131) is methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is CNc1ccc2n(c1=O)C(C(=O)OC)CC2.
What is the InChIKey of methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is JKYJVMKEJKVGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-12-8-5-3-7-4-6-9(11(15)16-2)13(7)10(8)14/h3,5,9,12H,4,6H2,1-2H3.
What are the key properties of methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 59975131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).