methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate

C11H13NO3 — CID 122164337

IUPACmethyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate
SMILESCOC(=O)c1cc(C=O)n2c1CCCC2
InChIInChI=1S/C11H13NO3/c1-15-11(14)9-6-8(7-13)12-5-3-2-4-10(9)12/h6-7H,2-5H2,1H3
InChIKeyLCDQQIKYNLTSNL-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.42
Rot. Bonds2

About methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate

methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate (PubChem CID 122164337) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate
PubChem CID122164337
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate
SMILESCOC(=O)c1cc(C=O)n2c1CCCC2
InChIInChI=1S/C11H13NO3/c1-15-11(14)9-6-8(7-13)12-5-3-2-4-10(9)12/h6-7H,2-5H2,1H3
InChIKeyLCDQQIKYNLTSNL-UHFFFAOYSA-N
XLogP1.42
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate?
The IUPAC name of methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate (CID 122164337) is methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate.
What is the SMILES notation for methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate?
The canonical SMILES for methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate is COC(=O)c1cc(C=O)n2c1CCCC2.
What is the InChIKey of methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate?
The InChIKey is LCDQQIKYNLTSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-11(14)9-6-8(7-13)12-5-3-2-4-10(9)12/h6-7H,2-5H2,1H3.
What are the key properties of methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate?
methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate is sourced from PubChem (CID 122164337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).