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

C10H17NO — CID 177033593

IUPAC8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=COCC12CCCN1CCC2
InChIInChI=1S/C10H17NO/c1-2-12-9-10-5-3-7-11(10)8-4-6-10/h2H,1,3-9H2
InChIKeyLBNUQLKJGKTRIY-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.77
Rot. Bonds3

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

8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 177033593) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID177033593
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=COCC12CCCN1CCC2
InChIInChI=1S/C10H17NO/c1-2-12-9-10-5-3-7-11(10)8-4-6-10/h2H,1,3-9H2
InChIKeyLBNUQLKJGKTRIY-UHFFFAOYSA-N
XLogP1.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168942817
8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane
CID 164878560
8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate
CID 171786358
8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170726733
8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170423133
1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)
CID 66850804
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate
CID 166533544
1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
CID 155794097
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane
CID 164534379
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride
CID 12691221
8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride
CID 168881533

Frequently Asked Questions

What is the IUPAC name of 8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 177033593) is 8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is C=COCC12CCCN1CCC2.
What is the InChIKey of 8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is LBNUQLKJGKTRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-12-9-10-5-3-7-11(10)8-4-6-10/h2H,1,3-9H2.
What are the key properties of 8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 167.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 177033593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).