2,2-dimethylpyrrolidin-3-ol

C6H13NO — CID 71669042

IUPAC2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)NCCC1O
InChIInChI=1S/C6H13NO/c1-6(2)5(8)3-4-7-6/h5,7-8H,3-4H2,1-2H3
InChIKeyJDZXBVUTOWDOLV-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.12
Rot. Bonds

About 2,2-dimethylpyrrolidin-3-ol

2,2-dimethylpyrrolidin-3-ol (PubChem CID 71669042) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2,2-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name2,2-dimethylpyrrolidin-3-ol
PubChem CID71669042
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)NCCC1O
InChIInChI=1S/C6H13NO/c1-6(2)5(8)3-4-7-6/h5,7-8H,3-4H2,1-2H3
InChIKeyJDZXBVUTOWDOLV-UHFFFAOYSA-N
XLogP0.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethylpyrrolidin-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 2,2-dimethylpyrrolidin-3-ol?
The IUPAC name of 2,2-dimethylpyrrolidin-3-ol (CID 71669042) is 2,2-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 2,2-dimethylpyrrolidin-3-ol?
The canonical SMILES for 2,2-dimethylpyrrolidin-3-ol is CC1(C)NCCC1O.
What is the InChIKey of 2,2-dimethylpyrrolidin-3-ol?
The InChIKey is JDZXBVUTOWDOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)5(8)3-4-7-6/h5,7-8H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethylpyrrolidin-3-ol?
2,2-dimethylpyrrolidin-3-ol has a molecular weight of 115.18 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 71669042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).