(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone

C11H9NO3 — CID 10198128

IUPAC(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1c(O)cccc1O
InChIInChI=1S/C11H9NO3/c13-8-4-1-5-9(14)10(8)11(15)7-3-2-6-12-7/h1-6,12-14H
InChIKeyAHAUQCJBMMUQMB-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.66
Rot. Bonds2

About (2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone

(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone (PubChem CID 10198128) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is (2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone
PubChem CID10198128
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1c(O)cccc1O
InChIInChI=1S/C11H9NO3/c13-8-4-1-5-9(14)10(8)11(15)7-3-2-6-12-7/h1-6,12-14H
InChIKeyAHAUQCJBMMUQMB-UHFFFAOYSA-N
XLogP1.66
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 114558735
4-(1H-pyrrole-2-carbonyl)benzoic acid
CID 86245125
(115N)1H-pyrrole-2-carboxylic acid
CID 58083588
(2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone
CID 63748897
(3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 107949876
gold(1+);1H-pyrrole-2-carboxylate
CID 175933038
chromium(3+);tris(1H-pyrrole-2-carboxylate)
CID 161170868
sodium 1H-pyrrole-2-carboxylate
CID 23665788
4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one
CID 70092281
(4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone
CID 14653116
naphthalen-2-yl(1H-pyrrol-2-yl)methanone
CID 63749786
cyclopenten-1-yl(1H-pyrrol-2-yl)methanone
CID 130528769

Frequently Asked Questions

What is the IUPAC name of (2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone (CID 10198128) is (2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)c1c(O)cccc1O.
What is the InChIKey of (2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is AHAUQCJBMMUQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-8-4-1-5-9(14)10(8)11(15)7-3-2-6-12-7/h1-6,12-14H.
What are the key properties of (2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone?
(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 203.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 10198128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).