1,4,5-trimethylpyrrolidin-3-ol

C7H15NO — CID 54009308

IUPAC1,4,5-trimethylpyrrolidin-3-ol
SMILESCC1C(O)CN(C)C1C
InChIInChI=1S/C7H15NO/c1-5-6(2)8(3)4-7(5)9/h5-7,9H,4H2,1-3H3
InChIKeyBMCRETBUESPBLI-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.32
Rot. Bonds

About 1,4,5-trimethylpyrrolidin-3-ol

1,4,5-trimethylpyrrolidin-3-ol (PubChem CID 54009308) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1,4,5-trimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1,4,5-trimethylpyrrolidin-3-ol
PubChem CID54009308
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1,4,5-trimethylpyrrolidin-3-ol
SMILESCC1C(O)CN(C)C1C
InChIInChI=1S/C7H15NO/c1-5-6(2)8(3)4-7(5)9/h5-7,9H,4H2,1-3H3
InChIKeyBMCRETBUESPBLI-UHFFFAOYSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,4,5-trimethylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethylpyrrolidin-3-ol?
The IUPAC name of 1,4,5-trimethylpyrrolidin-3-ol (CID 54009308) is 1,4,5-trimethylpyrrolidin-3-ol.
What is the SMILES notation for 1,4,5-trimethylpyrrolidin-3-ol?
The canonical SMILES for 1,4,5-trimethylpyrrolidin-3-ol is CC1C(O)CN(C)C1C.
What is the InChIKey of 1,4,5-trimethylpyrrolidin-3-ol?
The InChIKey is BMCRETBUESPBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-6(2)8(3)4-7(5)9/h5-7,9H,4H2,1-3H3.
What are the key properties of 1,4,5-trimethylpyrrolidin-3-ol?
1,4,5-trimethylpyrrolidin-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethylpyrrolidin-3-ol is sourced from PubChem (CID 54009308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).