[5-(hydroxymethyl)pyrrolidin-2-yl]methanol

C6H13NO2 — CID 14353894

IUPAC[5-(hydroxymethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCC(CO)N1
InChIInChI=1S/C6H13NO2/c8-3-5-1-2-6(4-9)7-5/h5-9H,1-4H2
InChIKeyITNFYTQOVXXQNN-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.91
Rot. Bonds2

About [5-(hydroxymethyl)pyrrolidin-2-yl]methanol

[5-(hydroxymethyl)pyrrolidin-2-yl]methanol (PubChem CID 14353894) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is [5-(hydroxymethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)pyrrolidin-2-yl]methanol
PubChem CID14353894
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name[5-(hydroxymethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCC(CO)N1
InChIInChI=1S/C6H13NO2/c8-3-5-1-2-6(4-9)7-5/h5-9H,1-4H2
InChIKeyITNFYTQOVXXQNN-UHFFFAOYSA-N
XLogP-0.91
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)pyrrolidin-2-yl]methanol (CID 14353894) is [5-(hydroxymethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)pyrrolidin-2-yl]methanol is OCC1CCC(CO)N1.
What is the InChIKey of [5-(hydroxymethyl)pyrrolidin-2-yl]methanol?
The InChIKey is ITNFYTQOVXXQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c8-3-5-1-2-6(4-9)7-5/h5-9H,1-4H2.
What are the key properties of [5-(hydroxymethyl)pyrrolidin-2-yl]methanol?
[5-(hydroxymethyl)pyrrolidin-2-yl]methanol has a molecular weight of 131.18 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 14353894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).