1-methylpyrrolidine-2,3-diol

C5H11NO2 — CID 67237875

IUPAC1-methylpyrrolidine-2,3-diol
SMILESCN1CCC(O)C1O
InChIInChI=1S/C5H11NO2/c1-6-3-2-4(7)5(6)8/h4-5,7-8H,2-3H2,1H3
InChIKeyPMFGQICPGXKHKS-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.00
Rot. Bonds

About 1-methylpyrrolidine-2,3-diol

1-methylpyrrolidine-2,3-diol (PubChem CID 67237875) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-methylpyrrolidine-2,3-diol.

Molecular Properties

Compound Name1-methylpyrrolidine-2,3-diol
PubChem CID67237875
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-methylpyrrolidine-2,3-diol
SMILESCN1CCC(O)C1O
InChIInChI=1S/C5H11NO2/c1-6-3-2-4(7)5(6)8/h4-5,7-8H,2-3H2,1H3
InChIKeyPMFGQICPGXKHKS-UHFFFAOYSA-N
XLogP-1.00
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidine-2,3-diol?
The IUPAC name of 1-methylpyrrolidine-2,3-diol (CID 67237875) is 1-methylpyrrolidine-2,3-diol.
What is the SMILES notation for 1-methylpyrrolidine-2,3-diol?
The canonical SMILES for 1-methylpyrrolidine-2,3-diol is CN1CCC(O)C1O.
What is the InChIKey of 1-methylpyrrolidine-2,3-diol?
The InChIKey is PMFGQICPGXKHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-6-3-2-4(7)5(6)8/h4-5,7-8H,2-3H2,1H3.
What are the key properties of 1-methylpyrrolidine-2,3-diol?
1-methylpyrrolidine-2,3-diol has a molecular weight of 117.15 g/mol, XLogP of -1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine-2,3-diol is sourced from PubChem (CID 67237875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).