methyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate

C10H15NO2 — CID 148935136

IUPACmethyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate
SMILESCOC(=O)C1=CN2CCCCC2C1
InChIInChI=1S/C10H15NO2/c1-13-10(12)8-6-9-4-2-3-5-11(9)7-8/h7,9H,2-6H2,1H3
InChIKeyPMSCSAUVJDPZDZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.30
Rot. Bonds1

About methyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate

methyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate (PubChem CID 148935136) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is methyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate
PubChem CID148935136
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Namemethyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate
SMILESCOC(=O)C1=CN2CCCCC2C1
InChIInChI=1S/C10H15NO2/c1-13-10(12)8-6-9-4-2-3-5-11(9)7-8/h7,9H,2-6H2,1H3
InChIKeyPMSCSAUVJDPZDZ-UHFFFAOYSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate?
The IUPAC name of methyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate (CID 148935136) is methyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate.
What is the SMILES notation for methyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate?
The canonical SMILES for methyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate is COC(=O)C1=CN2CCCCC2C1.
What is the InChIKey of methyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate?
The InChIKey is PMSCSAUVJDPZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-10(12)8-6-9-4-2-3-5-11(9)7-8/h7,9H,2-6H2,1H3.
What are the key properties of methyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate?
methyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate has a molecular weight of 181.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5,6,7,8,8a-hexahydroindolizine-2-carboxylate is sourced from PubChem (CID 148935136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).