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

C13H22N2O2 — CID 55131938

IUPAC2-(3-hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CCC(O)C1
InChIInChI=1S/C13H22N2O2/c1-3-6-13(10-14,7-4-2)12(17)15-8-5-11(16)9-15/h11,16H,3-9H2,1-2H3
InChIKeyGNDKHQJBKHAYAS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.69
Rot. Bonds5

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

2-(3-hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile (PubChem CID 55131938) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile
PubChem CID55131938
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(3-hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CCC(O)C1
InChIInChI=1S/C13H22N2O2/c1-3-6-13(10-14,7-4-2)12(17)15-8-5-11(16)9-15/h11,16H,3-9H2,1-2H3
InChIKeyGNDKHQJBKHAYAS-UHFFFAOYSA-N
XLogP1.69
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Hydroxy-4-methylpyrrolidin-1-yl)-5,5-dimethylhexan-1-one
CID 59636845
2-Ethyl-1-(3-hydroxypyrrolidin-1-yl)hexan-1-one
CID 62917763
1-(3-Hydroxypyrrolidin-1-yl)-2-propylpentan-1-one
CID 82987043
1-(3,4-Dihydroxypyrrolidin-1-yl)-5,5-dimethylhexan-1-one
CID 91043671
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2,2-dimethyloctan-1-one
CID 126510319
1-(3-Hydroxypyrrolidin-1-yl)-2,2-dimethyloctan-1-one
CID 138612597
2-Tert-butyl-1-(3-hydroxypyrrolidin-1-yl)pentan-1-one
CID 143855393
2-Ethyl-1-(3-hydroxypyrrolidin-1-yl)pentan-1-one
CID 156063230
1-(3-Hydroxypyrrolidin-1-yl)-3,3-dimethylpentan-1-one
CID 166982487
1-(3-Hydroxypyrrolidin-1-yl)-4,4-dimethyl-3-propan-2-ylpentan-1-one
CID 172482508
1-(3,3-Dimethylbutyl)-4-hydroxy-2-oxo-5-propan-2-ylpyrrolidine-3-carbonitrile
CID 174605895
1-(3,3-Dimethylbutyl)-4-hydroxy-5,5-dimethyl-2-oxopyrrolidine-3-carbonitrile
CID 175268350

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile?
The IUPAC name of 2-(3-hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile (CID 55131938) is 2-(3-hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile.
What is the SMILES notation for 2-(3-hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile?
The canonical SMILES for 2-(3-hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile is CCCC(C#N)(CCC)C(=O)N1CCC(O)C1.
What is the InChIKey of 2-(3-hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile?
The InChIKey is GNDKHQJBKHAYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-6-13(10-14,7-4-2)12(17)15-8-5-11(16)9-15/h11,16H,3-9H2,1-2H3.
What are the key properties of 2-(3-hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile?
2-(3-hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile has a molecular weight of 238.33 g/mol, XLogP of 1.69, 5 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)-2-propylpentanenitrile is sourced from PubChem (CID 55131938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).