2-(3-hydroxypyrrolidin-1-yl)butanenitrile

C8H14N2O — CID 62916642

IUPAC2-(3-hydroxypyrrolidin-1-yl)butanenitrile
SMILESCCC(C#N)N1CCC(O)C1
InChIInChI=1S/C8H14N2O/c1-2-7(5-9)10-4-3-8(11)6-10/h7-8,11H,2-4,6H2,1H3
InChIKeyUBXVRRYDKXUGDA-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.36
Rot. Bonds2

About 2-(3-hydroxypyrrolidin-1-yl)butanenitrile

2-(3-hydroxypyrrolidin-1-yl)butanenitrile (PubChem CID 62916642) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)butanenitrile
PubChem CID62916642
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)butanenitrile
SMILESCCC(C#N)N1CCC(O)C1
InChIInChI=1S/C8H14N2O/c1-2-7(5-9)10-4-3-8(11)6-10/h7-8,11H,2-4,6H2,1H3
InChIKeyUBXVRRYDKXUGDA-UHFFFAOYSA-N
XLogP0.36
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile
CID 66291661
2-[(3R)-3-aminopiperidin-1-yl]butanenitrile
CID 102985382
2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile
CID 62357327
2-[4-(propylaminomethyl)piperidin-1-yl]butanenitrile
CID 63847362
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile
CID 79931868
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanenitrile
CID 63764151
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
acetonitrile;1-propan-2-ylpiperidin-3-ol
CID 144865621
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]butanenitrile
CID 63849371
ethyl 2-[4-(1-cyanopropyl)piperazin-1-yl]pentanoate
CID 83041873
2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-3,3-dimethylbutanenitrile
CID 130986060
1-(1-aminoethyl)pyrrolidin-3-ol
CID 68831329

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)butanenitrile?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)butanenitrile (CID 62916642) is 2-(3-hydroxypyrrolidin-1-yl)butanenitrile.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)butanenitrile?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)butanenitrile is CCC(C#N)N1CCC(O)C1.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)butanenitrile?
The InChIKey is UBXVRRYDKXUGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-7(5-9)10-4-3-8(11)6-10/h7-8,11H,2-4,6H2,1H3.
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)butanenitrile?
2-(3-hydroxypyrrolidin-1-yl)butanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)butanenitrile is sourced from PubChem (CID 62916642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).