[(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol

C7H15NO2 — CID 168999883

IUPAC[(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol
SMILESCOC1CC[C@@H](CO)N1C
InChIInChI=1S/C7H15NO2/c1-8-6(5-9)3-4-7(8)10-2/h6-7,9H,3-5H2,1-2H3/t6-,7?/m0/s1
InChIKeyCAJCHMCSGFEENC-PKPIPKONSA-N
MW145.20 g/mol
LogP0.05
Rot. Bonds2

About [(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol

[(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol (PubChem CID 168999883) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is [(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol
PubChem CID168999883
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name[(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol
SMILESCOC1CC[C@@H](CO)N1C
InChIInChI=1S/C7H15NO2/c1-8-6(5-9)3-4-7(8)10-2/h6-7,9H,3-5H2,1-2H3/t6-,7?/m0/s1
InChIKeyCAJCHMCSGFEENC-PKPIPKONSA-N
XLogP0.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol
CID 59117705
[(5R)-1,5-dimethylpyrrolidin-2-yl]methanol
CID 90247444
tert-butyl (2S)-2-(hydroxymethyl)-5-methoxypyrrolidine-1-carboxylate
CID 131033537
[(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol
CID 156651627
[1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol
CID 119095281
[(2R,5S)-1,5-dimethylpiperidin-2-yl]methanol
CID 118033473
[(2R,3S)-3-methoxy-1-methylpyrrolidin-2-yl]methanol
CID 58778533
[1-(1-methoxyethyl)pyrrolidin-2-yl]methanol
CID 89040674
ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol
CID 164904424
[(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol
CID 102244531
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol (CID 168999883) is [(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol is COC1CC[C@@H](CO)N1C.
What is the InChIKey of [(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is CAJCHMCSGFEENC-PKPIPKONSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8-6(5-9)3-4-7(8)10-2/h6-7,9H,3-5H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of [(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol?
[(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 145.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-methoxy-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 168999883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).