[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate

C13H11NO5 — CID 7870759

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)c1ccc[nH]1
InChIInChI=1S/C13H11NO5/c15-8-3-4-9(11(16)6-8)13(18)19-7-12(17)10-2-1-5-14-10/h1-6,14-16H,7H2
InChIKeyXKWAKMPPGHLXIC-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.47
Rot. Bonds4

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate (PubChem CID 7870759) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate
PubChem CID7870759
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)c1ccc[nH]1
InChIInChI=1S/C13H11NO5/c15-8-3-4-9(11(16)6-8)13(18)19-7-12(17)10-2-1-5-14-10/h1-6,14-16H,7H2
InChIKeyXKWAKMPPGHLXIC-UHFFFAOYSA-N
XLogP1.47
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-bromo-2-hydroxybenzoate
CID 7365612
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 7283950
[2-(2-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7501091
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-chloro-4,5-difluorobenzoate
CID 3282695
[2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 8676496
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870764
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methylbenzoate
CID 3999225
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 7439931
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 7444625
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-formylbenzoate
CID 4674121
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3,4-dimethoxybenzoate
CID 3959315
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7500911

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate (CID 7870759) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1O)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate?
The InChIKey is XKWAKMPPGHLXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c15-8-3-4-9(11(16)6-8)13(18)19-7-12(17)10-2-1-5-14-10/h1-6,14-16H,7H2.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate has a molecular weight of 261.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 7870759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).