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

C7H15NO2 — CID 59117705

IUPAC[(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1[C@H](CO)CC[C@H]1CO
InChIInChI=1S/C7H15NO2/c1-8-6(4-9)2-3-7(8)5-10/h6-7,9-10H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyPNAGXPVXHBMZHS-BQBZGAKWSA-N
MW145.20 g/mol
LogP-0.57
Rot. Bonds2

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

[(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol (PubChem CID 59117705) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is [(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol
PubChem CID59117705
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name[(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1[C@H](CO)CC[C@H]1CO
InChIInChI=1S/C7H15NO2/c1-8-6(4-9)2-3-7(8)5-10/h6-7,9-10H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyPNAGXPVXHBMZHS-BQBZGAKWSA-N
XLogP-0.57
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol (CID 59117705) is [(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol is CN1[C@H](CO)CC[C@H]1CO.
What is the InChIKey of [(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is PNAGXPVXHBMZHS-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8-6(4-9)2-3-7(8)5-10/h6-7,9-10H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of [(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol?
[(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 145.20 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 59117705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).