2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine

C10H17NO — CID 142154445

IUPAC2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine
SMILESCOC1CC2CC(C)=CCN2C1
InChIInChI=1S/C10H17NO/c1-8-3-4-11-7-10(12-2)6-9(11)5-8/h3,9-10H,4-7H2,1-2H3
InChIKeyZCPFUVBDGVZGRX-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.43
Rot. Bonds1

About 2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine

2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine (PubChem CID 142154445) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine.

Molecular Properties

Compound Name2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine
PubChem CID142154445
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine
SMILESCOC1CC2CC(C)=CCN2C1
InChIInChI=1S/C10H17NO/c1-8-3-4-11-7-10(12-2)6-9(11)5-8/h3,9-10H,4-7H2,1-2H3
InChIKeyZCPFUVBDGVZGRX-UHFFFAOYSA-N
XLogP1.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine?
The IUPAC name of 2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine (CID 142154445) is 2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine.
What is the SMILES notation for 2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine?
The canonical SMILES for 2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine is COC1CC2CC(C)=CCN2C1.
What is the InChIKey of 2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine?
The InChIKey is ZCPFUVBDGVZGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-3-4-11-7-10(12-2)6-9(11)5-8/h3,9-10H,4-7H2,1-2H3.
What are the key properties of 2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine?
2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine has a molecular weight of 167.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-methyl-1,2,3,5,8,8a-hexahydroindolizine is sourced from PubChem (CID 142154445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).