pyrrolidine-3,4-diol

C4H9NO2 — CID 13329881

IUPACpyrrolidine-3,4-diol
SMILESOC1CNCC1O
InChIInChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2
InChIKeyJCZPOYAMKJFOLA-UHFFFAOYSA-N
MW103.12 g/mol
LogP-1.69
Rot. Bonds

About pyrrolidine-3,4-diol

pyrrolidine-3,4-diol (PubChem CID 13329881) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is pyrrolidine-3,4-diol.

Molecular Properties

Compound Namepyrrolidine-3,4-diol
PubChem CID13329881
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Namepyrrolidine-3,4-diol
SMILESOC1CNCC1O
InChIInChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2
InChIKeyJCZPOYAMKJFOLA-UHFFFAOYSA-N
XLogP-1.69
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine-3,4-diol?
The IUPAC name of pyrrolidine-3,4-diol (CID 13329881) is pyrrolidine-3,4-diol.
What is the SMILES notation for pyrrolidine-3,4-diol?
The canonical SMILES for pyrrolidine-3,4-diol is OC1CNCC1O.
What is the InChIKey of pyrrolidine-3,4-diol?
The InChIKey is JCZPOYAMKJFOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2.
What are the key properties of pyrrolidine-3,4-diol?
pyrrolidine-3,4-diol has a molecular weight of 103.12 g/mol, XLogP of -1.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-3,4-diol is sourced from PubChem (CID 13329881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).