(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C11H13NO4 — CID 103892642

IUPAC(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc(O)ccc1O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H13NO4/c13-7-1-2-10(15)9(5-7)11(16)12-4-3-8(14)6-12/h1-2,5,8,13-15H,3-4,6H2/t8-/m1/s1
InChIKeyPIYMWKZBNQHIJV-MRVPVSSYSA-N
MW223.23 g/mol
LogP0.30
Rot. Bonds1

About (2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 103892642) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID103892642
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc(O)ccc1O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H13NO4/c13-7-1-2-10(15)9(5-7)11(16)12-4-3-8(14)6-12/h1-2,5,8,13-15H,3-4,6H2/t8-/m1/s1
InChIKeyPIYMWKZBNQHIJV-MRVPVSSYSA-N
XLogP0.30
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze (2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone 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

(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 107721207
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
(3S)-1-(2,5-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107721752
(5-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032502
(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103863645
(2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107725091
(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 106502455
(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 107721232

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 103892642) is (2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1cc(O)ccc1O)N1CC[C@@H](O)C1.
What is the InChIKey of (2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is PIYMWKZBNQHIJV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-7-1-2-10(15)9(5-7)11(16)12-4-3-8(14)6-12/h1-2,5,8,13-15H,3-4,6H2/t8-/m1/s1.
What are the key properties of (2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 223.23 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 103892642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).