3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile

C8H14N2O — CID 62372957

IUPAC3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(CO)C1
InChIInChI=1S/C8H14N2O/c9-3-1-4-10-5-2-8(6-10)7-11/h8,11H,1-2,4-7H2
InChIKeyYIAOYAJQJDBDNM-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.21
Rot. Bonds3

About 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile

3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile (PubChem CID 62372957) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
PubChem CID62372957
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(CO)C1
InChIInChI=1S/C8H14N2O/c9-3-1-4-10-5-2-8(6-10)7-11/h8,11H,1-2,4-7H2
InChIKeyYIAOYAJQJDBDNM-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Methylpyrrolidin-3-yl)methanol
CID 295970
(1-Ethylpyrrolidin-3-yl)methanol
CID 21702849
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251
(S)-(1-Methylpyrrolidin-3-YL)methanol
CID 38988801
3,3,3-Trifluoro-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanenitrile
CID 103368000
2-[3-Fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanenitrile
CID 126992186
3-Fluoro-1-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carbonitrile
CID 131131698
2-[3-Fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
CID 131153866
(1-Isobutylpyrrolidin-3-yl)methanol
CID 17999086
(1-Propylpyrrolidin-3-yl)methanol
CID 24275424
(1-Butylpyrrolidin-3-yl)methanol
CID 24275426
[(3R)-1-ethylpyrrolidin-3-yl]methanol
CID 28064484

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile?
The IUPAC name of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile (CID 62372957) is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile?
The canonical SMILES for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile is N#CCCN1CCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile?
The InChIKey is YIAOYAJQJDBDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-3-1-4-10-5-2-8(6-10)7-11/h8,11H,1-2,4-7H2.
What are the key properties of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile?
3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile is sourced from PubChem (CID 62372957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).