methyl indolizine-2-carboxylate

C10H9NO2 — CID 600232

IUPACmethyl indolizine-2-carboxylate
SMILESCOC(=O)c1cc2ccccn2c1
InChIInChI=1S/C10H9NO2/c1-13-10(12)8-6-9-4-2-3-5-11(9)7-8/h2-7H,1H3
InChIKeyPZENCFVMMTWFIK-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.73
Rot. Bonds1

About methyl indolizine-2-carboxylate

methyl indolizine-2-carboxylate (PubChem CID 600232) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is methyl indolizine-2-carboxylate.

Molecular Properties

Compound Namemethyl indolizine-2-carboxylate
PubChem CID600232
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Namemethyl indolizine-2-carboxylate
SMILESCOC(=O)c1cc2ccccn2c1
InChIInChI=1S/C10H9NO2/c1-13-10(12)8-6-9-4-2-3-5-11(9)7-8/h2-7H,1H3
InChIKeyPZENCFVMMTWFIK-UHFFFAOYSA-N
XLogP1.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl indolizine-2-carboxylate?
The IUPAC name of methyl indolizine-2-carboxylate (CID 600232) is methyl indolizine-2-carboxylate.
What is the SMILES notation for methyl indolizine-2-carboxylate?
The canonical SMILES for methyl indolizine-2-carboxylate is COC(=O)c1cc2ccccn2c1.
What is the InChIKey of methyl indolizine-2-carboxylate?
The InChIKey is PZENCFVMMTWFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-10(12)8-6-9-4-2-3-5-11(9)7-8/h2-7H,1H3.
What are the key properties of methyl indolizine-2-carboxylate?
methyl indolizine-2-carboxylate has a molecular weight of 175.19 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl indolizine-2-carboxylate is sourced from PubChem (CID 600232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).