3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile

C7H8N2O — CID 70370001

IUPAC3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1[nH]ccc1CCO
InChIInChI=1S/C7H8N2O/c8-5-7-6(2-4-10)1-3-9-7/h1,3,9-10H,2,4H2
InChIKeyPRBVHGRPDCOXAF-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.42
Rot. Bonds2

About 3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile

3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile (PubChem CID 70370001) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile
PubChem CID70370001
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1[nH]ccc1CCO
InChIInChI=1S/C7H8N2O/c8-5-7-6(2-4-10)1-3-9-7/h1,3,9-10H,2,4H2
InChIKeyPRBVHGRPDCOXAF-UHFFFAOYSA-N
XLogP0.42
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile?
The IUPAC name of 3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile (CID 70370001) is 3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile is N#Cc1[nH]ccc1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile?
The InChIKey is PRBVHGRPDCOXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c8-5-7-6(2-4-10)1-3-9-7/h1,3,9-10H,2,4H2.
What are the key properties of 3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile?
3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile has a molecular weight of 136.15 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 70370001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).