4-hydroxy-2-pyrrolidin-1-ylbutanenitrile

C8H14N2O — CID 154205711

IUPAC4-hydroxy-2-pyrrolidin-1-ylbutanenitrile
SMILESN#CC(CCO)N1CCCC1
InChIInChI=1S/C8H14N2O/c9-7-8(3-6-11)10-4-1-2-5-10/h8,11H,1-6H2
InChIKeyXGIURHJOBRDSFE-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.36
Rot. Bonds3

About 4-hydroxy-2-pyrrolidin-1-ylbutanenitrile

4-hydroxy-2-pyrrolidin-1-ylbutanenitrile (PubChem CID 154205711) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-hydroxy-2-pyrrolidin-1-ylbutanenitrile.

Molecular Properties

Compound Name4-hydroxy-2-pyrrolidin-1-ylbutanenitrile
PubChem CID154205711
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-hydroxy-2-pyrrolidin-1-ylbutanenitrile
SMILESN#CC(CCO)N1CCCC1
InChIInChI=1S/C8H14N2O/c9-7-8(3-6-11)10-4-1-2-5-10/h8,11H,1-6H2
InChIKeyXGIURHJOBRDSFE-UHFFFAOYSA-N
XLogP0.36
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-[3-Fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
CID 131153866
3-Hydroxy-2-pyrrolidin-1-ylpropanenitrile
CID 68829508
(3S)-1-(3-hydroxypropyl)pyrrolidine-3-carbonitrile
CID 163217924
1-(3-Hydroxypropyl)pyrrolidine-3-carbonitrile
CID 169763071
4-[3-Hydroxypropyl(propan-2-yl)amino]butanenitrile
CID 61580975
3-[3-(Hydroxymethyl)pyrrolidin-1-yl]butanenitrile
CID 62371209
2-[3-(Hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 62372259
2-[3-(Hydroxymethyl)pyrrolidin-1-yl]butanenitrile
CID 62372948
3-[3-(Hydroxymethyl)pyrrolidin-1-yl]pentanenitrile
CID 62372958
2-(3-Hydroxypyrrolidin-1-yl)butanenitrile
CID 62916642
3-(3-Hydroxypyrrolidin-1-yl)butanenitrile
CID 62916652
3-[(3S)-3-hydroxypyrrolidin-1-yl]butanenitrile
CID 63905158

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-pyrrolidin-1-ylbutanenitrile?
The IUPAC name of 4-hydroxy-2-pyrrolidin-1-ylbutanenitrile (CID 154205711) is 4-hydroxy-2-pyrrolidin-1-ylbutanenitrile.
What is the SMILES notation for 4-hydroxy-2-pyrrolidin-1-ylbutanenitrile?
The canonical SMILES for 4-hydroxy-2-pyrrolidin-1-ylbutanenitrile is N#CC(CCO)N1CCCC1.
What is the InChIKey of 4-hydroxy-2-pyrrolidin-1-ylbutanenitrile?
The InChIKey is XGIURHJOBRDSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-7-8(3-6-11)10-4-1-2-5-10/h8,11H,1-6H2.
What are the key properties of 4-hydroxy-2-pyrrolidin-1-ylbutanenitrile?
4-hydroxy-2-pyrrolidin-1-ylbutanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-pyrrolidin-1-ylbutanenitrile is sourced from PubChem (CID 154205711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).