3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile

C8H14N2O — CID 166494922

IUPAC3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile
SMILESCC(C)C1NCCC1(O)C#N
InChIInChI=1S/C8H14N2O/c1-6(2)7-8(11,5-9)3-4-10-7/h6-7,10-11H,3-4H2,1-2H3
InChIKeyKPNMAINRDHQZIE-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.26
Rot. Bonds1

About 3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile

3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile (PubChem CID 166494922) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile
PubChem CID166494922
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile
SMILESCC(C)C1NCCC1(O)C#N
InChIInChI=1S/C8H14N2O/c1-6(2)7-8(11,5-9)3-4-10-7/h6-7,10-11H,3-4H2,1-2H3
InChIKeyKPNMAINRDHQZIE-UHFFFAOYSA-N
XLogP0.26
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile 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 3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile?
The IUPAC name of 3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile (CID 166494922) is 3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile?
The canonical SMILES for 3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile is CC(C)C1NCCC1(O)C#N.
What is the InChIKey of 3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile?
The InChIKey is KPNMAINRDHQZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)7-8(11,5-9)3-4-10-7/h6-7,10-11H,3-4H2,1-2H3.
What are the key properties of 3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile?
3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 166494922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).