1,2-dimethylpyrrolidine-3,4-diol

C6H13NO2 — CID 18962859

IUPAC1,2-dimethylpyrrolidine-3,4-diol
SMILESCC1C(O)C(O)CN1C
InChIInChI=1S/C6H13NO2/c1-4-6(9)5(8)3-7(4)2/h4-6,8-9H,3H2,1-2H3
InChIKeyYIYTWYXGLOSAHE-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.96
Rot. Bonds

About 1,2-dimethylpyrrolidine-3,4-diol

1,2-dimethylpyrrolidine-3,4-diol (PubChem CID 18962859) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 1,2-dimethylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1,2-dimethylpyrrolidine-3,4-diol
PubChem CID18962859
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name1,2-dimethylpyrrolidine-3,4-diol
SMILESCC1C(O)C(O)CN1C
InChIInChI=1S/C6H13NO2/c1-4-6(9)5(8)3-7(4)2/h4-6,8-9H,3H2,1-2H3
InChIKeyYIYTWYXGLOSAHE-UHFFFAOYSA-N
XLogP-0.96
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrolidine-3,4-diol?
The IUPAC name of 1,2-dimethylpyrrolidine-3,4-diol (CID 18962859) is 1,2-dimethylpyrrolidine-3,4-diol.
What is the SMILES notation for 1,2-dimethylpyrrolidine-3,4-diol?
The canonical SMILES for 1,2-dimethylpyrrolidine-3,4-diol is CC1C(O)C(O)CN1C.
What is the InChIKey of 1,2-dimethylpyrrolidine-3,4-diol?
The InChIKey is YIYTWYXGLOSAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-6(9)5(8)3-7(4)2/h4-6,8-9H,3H2,1-2H3.
What are the key properties of 1,2-dimethylpyrrolidine-3,4-diol?
1,2-dimethylpyrrolidine-3,4-diol has a molecular weight of 131.17 g/mol, XLogP of -0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrolidine-3,4-diol is sourced from PubChem (CID 18962859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).