2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile

C10H16N2O2 — CID 62943804

IUPAC2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile
SMILESCCCC(C#N)C(=O)N1CCC(O)C1
InChIInChI=1S/C10H16N2O2/c1-2-3-8(6-11)10(14)12-5-4-9(13)7-12/h8-9,13H,2-5,7H2,1H3
InChIKeyZQGMSRRRTVJJIK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.52
Rot. Bonds3

About 2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile

2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile (PubChem CID 62943804) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile
PubChem CID62943804
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile
SMILESCCCC(C#N)C(=O)N1CCC(O)C1
InChIInChI=1S/C10H16N2O2/c1-2-3-8(6-11)10(14)12-5-4-9(13)7-12/h8-9,13H,2-5,7H2,1H3
InChIKeyZQGMSRRRTVJJIK-UHFFFAOYSA-N
XLogP0.52
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile 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-hydroxypyrrolidine-1-carbonyl)pentanenitrile?
The IUPAC name of 2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile (CID 62943804) is 2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile.
What is the SMILES notation for 2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile?
The canonical SMILES for 2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile is CCCC(C#N)C(=O)N1CCC(O)C1.
What is the InChIKey of 2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile?
The InChIKey is ZQGMSRRRTVJJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-8(6-11)10(14)12-5-4-9(13)7-12/h8-9,13H,2-5,7H2,1H3.
What are the key properties of 2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile?
2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile has a molecular weight of 196.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidine-1-carbonyl)pentanenitrile is sourced from PubChem (CID 62943804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).