8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine

C10H19NO — CID 162736782

IUPAC8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCCN1C(C)CC2
InChIInChI=1S/C10H19NO/c1-9-4-6-10(8-12-2)5-3-7-11(9)10/h9H,3-8H2,1-2H3
InChIKeyMQSIQGIXLVTQMO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds2

About 8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine

8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 162736782) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID162736782
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCCN1C(C)CC2
InChIInChI=1S/C10H19NO/c1-9-4-6-10(8-12-2)5-3-7-11(9)10/h9H,3-8H2,1-2H3
InChIKeyMQSIQGIXLVTQMO-UHFFFAOYSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 162736782) is 8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine is COCC12CCCN1C(C)CC2.
What is the InChIKey of 8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is MQSIQGIXLVTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9-4-6-10(8-12-2)5-3-7-11(9)10/h9H,3-8H2,1-2H3.
What are the key properties of 8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 169.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 162736782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).