8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine

C12H23NO — CID 166974391

IUPAC8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILESCC(C)OCC12CCCCN1CCC2
InChIInChI=1S/C12H23NO/c1-11(2)14-10-12-6-3-4-8-13(12)9-5-7-12/h11H,3-10H2,1-2H3
InChIKeyIJCLDDUUJRYTQJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.43
Rot. Bonds3

About 8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine

8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine (PubChem CID 166974391) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine.

Molecular Properties

Compound Name8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
PubChem CID166974391
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILESCC(C)OCC12CCCCN1CCC2
InChIInChI=1S/C12H23NO/c1-11(2)14-10-12-6-3-4-8-13(12)9-5-7-12/h11H,3-10H2,1-2H3
InChIKeyIJCLDDUUJRYTQJ-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine?
The IUPAC name of 8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine (CID 166974391) is 8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine.
What is the SMILES notation for 8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine?
The canonical SMILES for 8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine is CC(C)OCC12CCCCN1CCC2.
What is the InChIKey of 8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine?
The InChIKey is IJCLDDUUJRYTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)14-10-12-6-3-4-8-13(12)9-5-7-12/h11H,3-10H2,1-2H3.
What are the key properties of 8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine?
8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine has a molecular weight of 197.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(propan-2-yloxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine is sourced from PubChem (CID 166974391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).