1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine

C13H23NO — CID 123683182

IUPAC1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine
SMILESC=C1C(C)N2CCCCC2C1(C)OCC
InChIInChI=1S/C13H23NO/c1-5-15-13(4)10(2)11(3)14-9-7-6-8-12(13)14/h11-12H,2,5-9H2,1,3-4H3
InChIKeyOZUGKFSWNKGRGJ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.59
Rot. Bonds2

About 1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine

1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine (PubChem CID 123683182) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine.

Molecular Properties

Compound Name1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine
PubChem CID123683182
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine
SMILESC=C1C(C)N2CCCCC2C1(C)OCC
InChIInChI=1S/C13H23NO/c1-5-15-13(4)10(2)11(3)14-9-7-6-8-12(13)14/h11-12H,2,5-9H2,1,3-4H3
InChIKeyOZUGKFSWNKGRGJ-UHFFFAOYSA-N
XLogP2.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine
CID 176610784
3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine
CID 123488308
6-Methylidene-8a-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydroindolizine
CID 164922044
2-Methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine
CID 164922132
2-Methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine
CID 176610744

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine?
The IUPAC name of 1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine (CID 123683182) is 1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine.
What is the SMILES notation for 1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine?
The canonical SMILES for 1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine is C=C1C(C)N2CCCCC2C1(C)OCC.
What is the InChIKey of 1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine?
The InChIKey is OZUGKFSWNKGRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-15-13(4)10(2)11(3)14-9-7-6-8-12(13)14/h11-12H,2,5-9H2,1,3-4H3.
What are the key properties of 1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine?
1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine has a molecular weight of 209.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine is sourced from PubChem (CID 123683182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).