1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone

C8H11NO2 — CID 79106828

IUPAC1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(CCO)c1
InChIInChI=1S/C8H11NO2/c1-7(11)8-2-3-9(6-8)4-5-10/h2-3,6,10H,4-5H2,1H3
InChIKeyGNGLJQZPNRUPBV-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.68
Rot. Bonds3

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

1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone (PubChem CID 79106828) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone
PubChem CID79106828
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(CCO)c1
InChIInChI=1S/C8H11NO2/c1-7(11)8-2-3-9(6-8)4-5-10/h2-3,6,10H,4-5H2,1H3
InChIKeyGNGLJQZPNRUPBV-UHFFFAOYSA-N
XLogP0.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone (CID 79106828) is 1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone is CC(=O)c1ccn(CCO)c1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone?
The InChIKey is GNGLJQZPNRUPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-7(11)8-2-3-9(6-8)4-5-10/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone?
1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone has a molecular weight of 153.18 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone is sourced from PubChem (CID 79106828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).