2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine

C13H23NO — CID 164922132

IUPAC2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine
SMILESC=C1CN2CCCCC2(COC(C)C)C1
InChIInChI=1S/C13H23NO/c1-11(2)15-10-13-6-4-5-7-14(13)9-12(3)8-13/h11H,3-10H2,1-2H3
InChIKeyJASKPXDMRAWZHR-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.60
Rot. Bonds3

About 2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine

2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine (PubChem CID 164922132) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine.

Molecular Properties

Compound Name2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine
PubChem CID164922132
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine
SMILESC=C1CN2CCCCC2(COC(C)C)C1
InChIInChI=1S/C13H23NO/c1-11(2)15-10-13-6-4-5-7-14(13)9-12(3)8-13/h11H,3-10H2,1-2H3
InChIKeyJASKPXDMRAWZHR-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.60
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
1-Ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine
CID 123683182
6-Methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole
CID 163984751
(2-Methylidene-octahydroindolizin-8A-YL)methanol
CID 164921910
6-Methylidene-8a-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydroindolizine
CID 164922044
(6-Methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol
CID 164922281
8a-[[(1R)-1-iodoethoxy]methyl]-2-methylidene-1,3,5,6,7,8-hexahydroindolizine
CID 164922634
8a-[[(1S)-1-iodoethoxy]methyl]-6-methylidene-1,2,3,5,7,8-hexahydroindolizine
CID 164922775
8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 166974391
(8aR)-7-methylidene-8a-(propan-2-yloxymethyl)-3,4,6,8-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 172194139
(8aS)-8a-(methoxymethyl)-7-methylidene-3,4,6,8-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 172354926
(2S)-2-(ethoxymethyl)-1-methyl-4-methylidene-2-propylpyrrolidine
CID 172364817

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine?
The IUPAC name of 2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine (CID 164922132) is 2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine.
What is the SMILES notation for 2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine?
The canonical SMILES for 2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine is C=C1CN2CCCCC2(COC(C)C)C1.
What is the InChIKey of 2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine?
The InChIKey is JASKPXDMRAWZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)15-10-13-6-4-5-7-14(13)9-12(3)8-13/h11H,3-10H2,1-2H3.
What are the key properties of 2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine?
2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine has a molecular weight of 209.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine is sourced from PubChem (CID 164922132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).