methyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate

C11H15NO3 — CID 170258431

IUPACmethyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate
SMILESCOC(=O)C1CCC2CC(C)=CC(=O)N21
InChIInChI=1S/C11H15NO3/c1-7-5-8-3-4-9(11(14)15-2)12(8)10(13)6-7/h6,8-9H,3-5H2,1-2H3
InChIKeySTYDDMIERCRUBE-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.87
Rot. Bonds1

About methyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate

methyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate (PubChem CID 170258431) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate
PubChem CID170258431
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate
SMILESCOC(=O)C1CCC2CC(C)=CC(=O)N21
InChIInChI=1S/C11H15NO3/c1-7-5-8-3-4-9(11(14)15-2)12(8)10(13)6-7/h6,8-9H,3-5H2,1-2H3
InChIKeySTYDDMIERCRUBE-UHFFFAOYSA-N
XLogP0.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate?
The IUPAC name of methyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate (CID 170258431) is methyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for methyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate?
The canonical SMILES for methyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate is COC(=O)C1CCC2CC(C)=CC(=O)N21.
What is the InChIKey of methyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate?
The InChIKey is STYDDMIERCRUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-5-8-3-4-9(11(14)15-2)12(8)10(13)6-7/h6,8-9H,3-5H2,1-2H3.
What are the key properties of methyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate?
methyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 170258431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).