1-(hydroxymethyl)pyrrolidin-3-ol

C5H11NO2 — CID 19020439

IUPAC1-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCN1CCC(O)C1
InChIInChI=1S/C5H11NO2/c7-4-6-2-1-5(8)3-6/h5,7-8H,1-4H2
InChIKeyHQKZATICDDWREA-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.00
Rot. Bonds1

About 1-(hydroxymethyl)pyrrolidin-3-ol

1-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 19020439) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID19020439
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCN1CCC(O)C1
InChIInChI=1S/C5H11NO2/c7-4-6-2-1-5(8)3-6/h5,7-8H,1-4H2
InChIKeyHQKZATICDDWREA-UHFFFAOYSA-N
XLogP-1.00
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Pyrrolidinyl)propane-1,2-diol
CID 174452
1-Ethyl-3-pyrrolidinol
CID 98203
1-Nitroso-3-pyrrolidinol
CID 3034827
1-Pyrrolidineethanol
CID 76288
1-Methyl-3-pyrrolidinol
CID 93074
1-Methyl-3-pyrrolidinol, (-)-
CID 6951332
alpha-Methyl-1-pyrrolidineethanol
CID 99015
1-Pyrrolidinepropanol
CID 209342
1-Methyl-3-pyrrolidinol, (+)-
CID 643504
(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
CID 64116183
1-Methylpyrrolidine-2,3-diol
CID 67237875
1-Isopropyl-3-pyrrolidinol
CID 11309522

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(hydroxymethyl)pyrrolidin-3-ol (CID 19020439) is 1-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(hydroxymethyl)pyrrolidin-3-ol is OCN1CCC(O)C1.
What is the InChIKey of 1-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is HQKZATICDDWREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c7-4-6-2-1-5(8)3-6/h5,7-8H,1-4H2.
What are the key properties of 1-(hydroxymethyl)pyrrolidin-3-ol?
1-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 117.15 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 19020439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).