pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone

C11H9NO4 — CID 11160307

IUPACpyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(O)cc1O)n1cccc1
InChIInChI=1S/C11H9NO4/c13-7-5-8(14)10(9(15)6-7)11(16)12-3-1-2-4-12/h1-6,13-15H
InChIKeyRYGSNHBTZDYVSS-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.29
Rot. Bonds1

About pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone

pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone (PubChem CID 11160307) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone.

Molecular Properties

Compound Namepyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone
PubChem CID11160307
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Namepyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(O)cc1O)n1cccc1
InChIInChI=1S/C11H9NO4/c13-7-5-8(14)10(9(15)6-7)11(16)12-3-1-2-4-12/h1-6,13-15H
InChIKeyRYGSNHBTZDYVSS-UHFFFAOYSA-N
XLogP1.29
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone?
The IUPAC name of pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone (CID 11160307) is pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone.
What is the SMILES notation for pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone?
The canonical SMILES for pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone is O=C(c1c(O)cc(O)cc1O)n1cccc1.
What is the InChIKey of pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone?
The InChIKey is RYGSNHBTZDYVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-7-5-8(14)10(9(15)6-7)11(16)12-3-1-2-4-12/h1-6,13-15H.
What are the key properties of pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone?
pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone has a molecular weight of 219.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone is sourced from PubChem (CID 11160307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).