2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol

C12H21NO — CID 2851134

IUPAC2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol
SMILESCC(C)C(C)(O)C#CCN1CCCC1
InChIInChI=1S/C12H21NO/c1-11(2)12(3,14)7-6-10-13-8-4-5-9-13/h11,14H,4-5,8-10H2,1-3H3
InChIKeyFMJSSYOPMZYMKT-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.49
Rot. Bonds2

About 2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol

2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol (PubChem CID 2851134) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol.

Molecular Properties

Compound Name2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol
PubChem CID2851134
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol
SMILESCC(C)C(C)(O)C#CCN1CCCC1
InChIInChI=1S/C12H21NO/c1-11(2)12(3,14)7-6-10-13-8-4-5-9-13/h11,14H,4-5,8-10H2,1-3H3
InChIKeyFMJSSYOPMZYMKT-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-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 2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol?
The IUPAC name of 2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol (CID 2851134) is 2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol.
What is the SMILES notation for 2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol?
The canonical SMILES for 2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol is CC(C)C(C)(O)C#CCN1CCCC1.
What is the InChIKey of 2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol?
The InChIKey is FMJSSYOPMZYMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2)12(3,14)7-6-10-13-8-4-5-9-13/h11,14H,4-5,8-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol?
2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-pyrrolidin-1-ylhex-4-yn-3-ol is sourced from PubChem (CID 2851134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).