1-(2,5-dihydroxypyrrol-1-yl)ethanone

C6H7NO3 — CID 54531133

IUPAC1-(2,5-dihydroxypyrrol-1-yl)ethanone
SMILESCC(=O)n1c(O)ccc1O
InChIInChI=1S/C6H7NO3/c1-4(8)7-5(9)2-3-6(7)10/h2-3,9-10H,1H3
InChIKeyYWPVNJBVZGXUOH-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.56
Rot. Bonds

About 1-(2,5-dihydroxypyrrol-1-yl)ethanone

1-(2,5-dihydroxypyrrol-1-yl)ethanone (PubChem CID 54531133) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-(2,5-dihydroxypyrrol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dihydroxypyrrol-1-yl)ethanone
PubChem CID54531133
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name1-(2,5-dihydroxypyrrol-1-yl)ethanone
SMILESCC(=O)n1c(O)ccc1O
InChIInChI=1S/C6H7NO3/c1-4(8)7-5(9)2-3-6(7)10/h2-3,9-10H,1H3
InChIKeyYWPVNJBVZGXUOH-UHFFFAOYSA-N
XLogP0.56
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylpyrrole-2,5-diol
CID 21326740
1-(2,5-Dihydroxypyrrol-1-yl)propan-1-one
CID 53632841
(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) prop-2-enoate
CID 53643718
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
1H-pyrrole-2,5-diol
CID 53710320
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
N-acetyl-2-hydroxypyrrole
CID 53746513
1-Iodopyrrole-2,5-diol
CID 53748320
1-Chloropyrrole-2,5-diol
CID 53783263
1-Hydroxypyrrole-2,5-diol
CID 53887891
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydroxypyrrol-1-yl)ethanone?
The IUPAC name of 1-(2,5-dihydroxypyrrol-1-yl)ethanone (CID 54531133) is 1-(2,5-dihydroxypyrrol-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dihydroxypyrrol-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dihydroxypyrrol-1-yl)ethanone is CC(=O)n1c(O)ccc1O.
What is the InChIKey of 1-(2,5-dihydroxypyrrol-1-yl)ethanone?
The InChIKey is YWPVNJBVZGXUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-4(8)7-5(9)2-3-6(7)10/h2-3,9-10H,1H3.
What are the key properties of 1-(2,5-dihydroxypyrrol-1-yl)ethanone?
1-(2,5-dihydroxypyrrol-1-yl)ethanone has a molecular weight of 141.13 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxypyrrol-1-yl)ethanone is sourced from PubChem (CID 54531133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).