(2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone

C11H9NO3 — CID 44589959

IUPAC(2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone
SMILESO=C(c1ccc(O)cc1O)n1cccc1
InChIInChI=1S/C11H9NO3/c13-8-3-4-9(10(14)7-8)11(15)12-5-1-2-6-12/h1-7,13-14H
InChIKeyUXAPOHBUQAQCSY-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.59
Rot. Bonds1

About (2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone

(2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone (PubChem CID 44589959) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone
PubChem CID44589959
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name(2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone
SMILESO=C(c1ccc(O)cc1O)n1cccc1
InChIInChI=1S/C11H9NO3/c13-8-3-4-9(10(14)7-8)11(15)12-5-1-2-6-12/h1-7,13-14H
InChIKeyUXAPOHBUQAQCSY-UHFFFAOYSA-N
XLogP1.59
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone?
The IUPAC name of (2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone (CID 44589959) is (2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone is O=C(c1ccc(O)cc1O)n1cccc1.
What is the InChIKey of (2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone?
The InChIKey is UXAPOHBUQAQCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-8-3-4-9(10(14)7-8)11(15)12-5-1-2-6-12/h1-7,13-14H.
What are the key properties of (2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone?
(2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone has a molecular weight of 203.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-pyrrol-1-ylmethanone is sourced from PubChem (CID 44589959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).