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

C10H19NO — CID 164922728

IUPAC(3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC[C@H]1CC[C@]2(C)CCCN12
InChIInChI=1S/C10H19NO/c1-10-5-3-7-11(10)9(4-6-10)8-12-2/h9H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyCORCFWGMQYYNFY-ZJUUUORDSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds2

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

(3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164922728) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164922728
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC[C@H]1CC[C@]2(C)CCCN12
InChIInChI=1S/C10H19NO/c1-10-5-3-7-11(10)9(4-6-10)8-12-2/h9H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyCORCFWGMQYYNFY-ZJUUUORDSA-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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Related Compounds

[(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
CID 170374647
(5R)-5-(methoxymethyl)-1,2,2-trimethylpyrrolidine
CID 168880974
8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 176800852
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
[(3R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl 4-ethylpiperazine-1-carboxylate
CID 169000360
2-(methoxymethyl)-1-azabicyclo[2.2.2]octane
CID 69233476
1-ethyl-2-(methoxymethyl)azetidine
CID 123419729
(2S)-2-(methoxymethyl)-1,3,3-trimethylpyrrolidine
CID 168881213
[(3S,8S)-3-(cyclopropylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 175977298
[(3S,8S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 156598778
8-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 176568432
(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)pyrrolidine
CID 142484052

Frequently Asked Questions

What is the IUPAC name of (3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 164922728) is (3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is COC[C@H]1CC[C@]2(C)CCCN12.
What is the InChIKey of (3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is CORCFWGMQYYNFY-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO/c1-10-5-3-7-11(10)9(4-6-10)8-12-2/h9H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
(3R,8S)-3-(methoxymethyl)-8-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 (3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164922728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).