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

C11H21NO3 — CID 171786358

IUPAC8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate
SMILESCOC=O.COCC12CCCN1CCC2
InChIInChI=1S/C9H17NO.C2H4O2/c1-11-8-9-4-2-6-10(9)7-3-5-9;1-4-2-3/h2-8H2,1H3;2H,1H3
InChIKeyOPSHUUMEOMYDJA-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds3

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

8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate (PubChem CID 171786358) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate.

Molecular Properties

Compound Name8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate
PubChem CID171786358
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate
SMILESCOC=O.COCC12CCCN1CCC2
InChIInChI=1S/C9H17NO.C2H4O2/c1-11-8-9-4-2-6-10(9)7-3-5-9;1-4-2-3/h2-8H2,1H3;2H,1H3
InChIKeyOPSHUUMEOMYDJA-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate
CID 166533544
8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177033593
8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
CID 164922505
(8S)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-6-ide;rubidium(1+)
CID 176714593
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949
ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane
CID 168881236
ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164904163
ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177010029
(Z)-5-amino-6-[amino(methyl)amino]-4,4-dimethylhex-5-en-2-one;ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169257469

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate?
The IUPAC name of 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate (CID 171786358) is 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate.
What is the SMILES notation for 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate?
The canonical SMILES for 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate is COC=O.COCC12CCCN1CCC2.
What is the InChIKey of 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate?
The InChIKey is OPSHUUMEOMYDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H4O2/c1-11-8-9-4-2-6-10(9)7-3-5-9;1-4-2-3/h2-8H2,1H3;2H,1H3.
What are the key properties of 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate?
8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate is sourced from PubChem (CID 171786358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).