2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine

C10H17NO — CID 139928311

IUPAC2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine
SMILESCCOC1CC2C=CCCN2C1
InChIInChI=1S/C10H17NO/c1-2-12-10-7-9-5-3-4-6-11(9)8-10/h3,5,9-10H,2,4,6-8H2,1H3
InChIKeyPKSPRQMASRFVRU-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.43
Rot. Bonds2

About 2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine

2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine (PubChem CID 139928311) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine.

Molecular Properties

Compound Name2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine
PubChem CID139928311
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine
SMILESCCOC1CC2C=CCCN2C1
InChIInChI=1S/C10H17NO/c1-2-12-10-7-9-5-3-4-6-11(9)8-10/h3,5,9-10H,2,4,6-8H2,1H3
InChIKeyPKSPRQMASRFVRU-UHFFFAOYSA-N
XLogP1.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine?
The IUPAC name of 2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine (CID 139928311) is 2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine.
What is the SMILES notation for 2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine?
The canonical SMILES for 2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine is CCOC1CC2C=CCCN2C1.
What is the InChIKey of 2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine?
The InChIKey is PKSPRQMASRFVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-12-10-7-9-5-3-4-6-11(9)8-10/h3,5,9-10H,2,4,6-8H2,1H3.
What are the key properties of 2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine?
2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine has a molecular weight of 167.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,2,3,5,6,8a-hexahydroindolizine is sourced from PubChem (CID 139928311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).