(2-hydroxyphenyl)-pyrrol-1-ylmethanone

C11H9NO2 — CID 121216815

IUPAC(2-hydroxyphenyl)-pyrrol-1-ylmethanone
SMILESO=C(c1ccccc1O)n1cccc1
InChIInChI=1S/C11H9NO2/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-8,13H
InChIKeyFQISGJZDGLXDLC-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.88
Rot. Bonds1

About (2-hydroxyphenyl)-pyrrol-1-ylmethanone

(2-hydroxyphenyl)-pyrrol-1-ylmethanone (PubChem CID 121216815) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is (2-hydroxyphenyl)-pyrrol-1-ylmethanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-pyrrol-1-ylmethanone
PubChem CID121216815
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name(2-hydroxyphenyl)-pyrrol-1-ylmethanone
SMILESO=C(c1ccccc1O)n1cccc1
InChIInChI=1S/C11H9NO2/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-8,13H
InChIKeyFQISGJZDGLXDLC-UHFFFAOYSA-N
XLogP1.88
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
4-(pyrrole-1-carbonyl)benzoic acid
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2-hydroxybenzenecarbothioic S-acid;manganese
CID 88742356

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-pyrrol-1-ylmethanone?
The IUPAC name of (2-hydroxyphenyl)-pyrrol-1-ylmethanone (CID 121216815) is (2-hydroxyphenyl)-pyrrol-1-ylmethanone.
What is the SMILES notation for (2-hydroxyphenyl)-pyrrol-1-ylmethanone?
The canonical SMILES for (2-hydroxyphenyl)-pyrrol-1-ylmethanone is O=C(c1ccccc1O)n1cccc1.
What is the InChIKey of (2-hydroxyphenyl)-pyrrol-1-ylmethanone?
The InChIKey is FQISGJZDGLXDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-8,13H.
What are the key properties of (2-hydroxyphenyl)-pyrrol-1-ylmethanone?
(2-hydroxyphenyl)-pyrrol-1-ylmethanone has a molecular weight of 187.20 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-pyrrol-1-ylmethanone is sourced from PubChem (CID 121216815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).