2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine

C14H25NO — CID 176610744

IUPAC2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine
SMILESC=C1CN2CCCCC2(COC(C)(C)C)C1
InChIInChI=1S/C14H25NO/c1-12-9-14(11-16-13(2,3)4)7-5-6-8-15(14)10-12/h1,5-11H2,2-4H3
InChIKeyLXQTWKZVAREBKJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.99
Rot. Bonds2

About 2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine

2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine (PubChem CID 176610744) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine.

Molecular Properties

Compound Name2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine
PubChem CID176610744
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine
SMILESC=C1CN2CCCCC2(COC(C)(C)C)C1
InChIInChI=1S/C14H25NO/c1-12-9-14(11-16-13(2,3)4)7-5-6-8-15(14)10-12/h1,5-11H2,2-4H3
InChIKeyLXQTWKZVAREBKJ-UHFFFAOYSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.99
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
(2-Methylidene-octahydroindolizin-8A-YL)methanol
CID 164921910
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
(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-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 169299983
(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-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine?
The IUPAC name of 2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine (CID 176610744) is 2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine.
What is the SMILES notation for 2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine?
The canonical SMILES for 2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine is C=C1CN2CCCCC2(COC(C)(C)C)C1.
What is the InChIKey of 2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine?
The InChIKey is LXQTWKZVAREBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12-9-14(11-16-13(2,3)4)7-5-6-8-15(14)10-12/h1,5-11H2,2-4H3.
What are the key properties of 2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine?
2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine has a molecular weight of 223.36 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine is sourced from PubChem (CID 176610744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).