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

C8H10N2O — CID 79106843

IUPAC2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile
SMILESCC(O)c1cccn1CC#N
InChIInChI=1S/C8H10N2O/c1-7(11)8-3-2-5-10(8)6-4-9/h2-3,5,7,11H,6H2,1H3
InChIKeyLPQUBYORSBYLEM-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.06
Rot. Bonds2

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

2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile (PubChem CID 79106843) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile
PubChem CID79106843
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile
SMILESCC(O)c1cccn1CC#N
InChIInChI=1S/C8H10N2O/c1-7(11)8-3-2-5-10(8)6-4-9/h2-3,5,7,11H,6H2,1H3
InChIKeyLPQUBYORSBYLEM-UHFFFAOYSA-N
XLogP1.06
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile?
The IUPAC name of 2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile (CID 79106843) is 2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile is CC(O)c1cccn1CC#N.
What is the InChIKey of 2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile?
The InChIKey is LPQUBYORSBYLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-7(11)8-3-2-5-10(8)6-4-9/h2-3,5,7,11H,6H2,1H3.
What are the key properties of 2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile?
2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile has a molecular weight of 150.18 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetonitrile is sourced from PubChem (CID 79106843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).