2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile

C8H10N2O — CID 70568461

IUPAC2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile
SMILESN#CCc1[nH]ccc1CCO
InChIInChI=1S/C8H10N2O/c9-4-1-8-7(3-6-11)2-5-10-8/h2,5,10-11H,1,3,6H2
InChIKeyWINKKDBESCFYDF-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.62
Rot. Bonds3

About 2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile

2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile (PubChem CID 70568461) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile
PubChem CID70568461
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile
SMILESN#CCc1[nH]ccc1CCO
InChIInChI=1S/C8H10N2O/c9-4-1-8-7(3-6-11)2-5-10-8/h2,5,10-11H,1,3,6H2
InChIKeyWINKKDBESCFYDF-UHFFFAOYSA-N
XLogP0.62
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile?
The IUPAC name of 2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile (CID 70568461) is 2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile is N#CCc1[nH]ccc1CCO.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile?
The InChIKey is WINKKDBESCFYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-4-1-8-7(3-6-11)2-5-10-8/h2,5,10-11H,1,3,6H2.
What are the key properties of 2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile?
2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile has a molecular weight of 150.18 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-1H-pyrrol-2-yl]acetonitrile is sourced from PubChem (CID 70568461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).