4-(hydroxymethyl)pyrrolidin-3-ol

C5H11NO2 — CID 21111709

IUPAC4-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1CNCC1O
InChIInChI=1S/C5H11NO2/c7-3-4-1-6-2-5(4)8/h4-8H,1-3H2
InChIKeyBSQXZHMREYHKOM-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.44
Rot. Bonds1

About 4-(hydroxymethyl)pyrrolidin-3-ol

4-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 21111709) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 4-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID21111709
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name4-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1CNCC1O
InChIInChI=1S/C5H11NO2/c7-3-4-1-6-2-5(4)8/h4-8H,1-3H2
InChIKeyBSQXZHMREYHKOM-UHFFFAOYSA-N
XLogP-1.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 4-(hydroxymethyl)pyrrolidin-3-ol (CID 21111709) is 4-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 4-(hydroxymethyl)pyrrolidin-3-ol is OCC1CNCC1O.
What is the InChIKey of 4-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is BSQXZHMREYHKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c7-3-4-1-6-2-5(4)8/h4-8H,1-3H2.
What are the key properties of 4-(hydroxymethyl)pyrrolidin-3-ol?
4-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 117.15 g/mol, XLogP of -1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 21111709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).