methyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate

C10H13NO3 — CID 15632608

IUPACmethyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate
SMILESCOC(=O)C1=CCCN2C(=O)CCC12
InChIInChI=1S/C10H13NO3/c1-14-10(13)7-3-2-6-11-8(7)4-5-9(11)12/h3,8H,2,4-6H2,1H3
InChIKeyBBWYIRNGLBPCPD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.48
Rot. Bonds1

About methyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate

methyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate (PubChem CID 15632608) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate
PubChem CID15632608
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate
SMILESCOC(=O)C1=CCCN2C(=O)CCC12
InChIInChI=1S/C10H13NO3/c1-14-10(13)7-3-2-6-11-8(7)4-5-9(11)12/h3,8H,2,4-6H2,1H3
InChIKeyBBWYIRNGLBPCPD-UHFFFAOYSA-N
XLogP0.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate?
The IUPAC name of methyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate (CID 15632608) is methyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate.
What is the SMILES notation for methyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate?
The canonical SMILES for methyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate is COC(=O)C1=CCCN2C(=O)CCC12.
What is the InChIKey of methyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate?
The InChIKey is BBWYIRNGLBPCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-10(13)7-3-2-6-11-8(7)4-5-9(11)12/h3,8H,2,4-6H2,1H3.
What are the key properties of methyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate?
methyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-2,5,6,8a-tetrahydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 15632608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).