(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol

C6H13NO2 — CID 10749213

IUPAC(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
SMILESCN1C[C@H](O)C[C@H]1CO
InChIInChI=1S/C6H13NO2/c1-7-3-6(9)2-5(7)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyIXFHJDFJPFHQLP-NTSWFWBYSA-N
MW131.18 g/mol
LogP-0.96
Rot. Bonds1

About (3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol

(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol (PubChem CID 10749213) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
PubChem CID10749213
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
SMILESCN1C[C@H](O)C[C@H]1CO
InChIInChI=1S/C6H13NO2/c1-7-3-6(9)2-5(7)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyIXFHJDFJPFHQLP-NTSWFWBYSA-N
XLogP-0.96
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol (CID 10749213) is (3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol is CN1C[C@H](O)C[C@H]1CO.
What is the InChIKey of (3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is IXFHJDFJPFHQLP-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-3-6(9)2-5(7)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 131.18 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 10749213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).