1-hydroxy-2,3-dimethylpyrrolidine

C6H13NO — CID 67660109

IUPAC1-hydroxy-2,3-dimethylpyrrolidine
SMILESCC1CCN(O)C1C
InChIInChI=1S/C6H13NO/c1-5-3-4-7(8)6(5)2/h5-6,8H,3-4H2,1-2H3
InChIKeyQVCLWLJLPNHTFJ-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.11
Rot. Bonds

About 1-hydroxy-2,3-dimethylpyrrolidine

1-hydroxy-2,3-dimethylpyrrolidine (PubChem CID 67660109) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-hydroxy-2,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1-hydroxy-2,3-dimethylpyrrolidine
PubChem CID67660109
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-hydroxy-2,3-dimethylpyrrolidine
SMILESCC1CCN(O)C1C
InChIInChI=1S/C6H13NO/c1-5-3-4-7(8)6(5)2/h5-6,8H,3-4H2,1-2H3
InChIKeyQVCLWLJLPNHTFJ-UHFFFAOYSA-N
XLogP1.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,3-dimethylpyrrolidine?
The IUPAC name of 1-hydroxy-2,3-dimethylpyrrolidine (CID 67660109) is 1-hydroxy-2,3-dimethylpyrrolidine.
What is the SMILES notation for 1-hydroxy-2,3-dimethylpyrrolidine?
The canonical SMILES for 1-hydroxy-2,3-dimethylpyrrolidine is CC1CCN(O)C1C.
What is the InChIKey of 1-hydroxy-2,3-dimethylpyrrolidine?
The InChIKey is QVCLWLJLPNHTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-3-4-7(8)6(5)2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-hydroxy-2,3-dimethylpyrrolidine?
1-hydroxy-2,3-dimethylpyrrolidine has a molecular weight of 115.18 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,3-dimethylpyrrolidine is sourced from PubChem (CID 67660109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).