1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one

C11H13NO4 — CID 168664025

IUPAC1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cc(O)cc(O)c1
InChIInChI=1S/C11H13NO4/c13-6-7-1-11(16)12(5-7)8-2-9(14)4-10(15)3-8/h2-4,7,13-15H,1,5-6H2
InChIKeyYMQALOATZGJIQF-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.44
Rot. Bonds2

About 1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168664025) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168664025
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cc(O)cc(O)c1
InChIInChI=1S/C11H13NO4/c13-6-7-1-11(16)12(5-7)8-2-9(14)4-10(15)3-8/h2-4,7,13-15H,1,5-6H2
InChIKeyYMQALOATZGJIQF-UHFFFAOYSA-N
XLogP0.44
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-2,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662808
1-(3,5-ditert-butyl-4-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 22115997
1-(3-bromo-5-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 107579664
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168664094
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-hydroxybenzoic acid
CID 168509328
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168662722
1-(2-chloro-5-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663464
1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663955

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168664025) is 1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1cc(O)cc(O)c1.
What is the InChIKey of 1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is YMQALOATZGJIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-6-7-1-11(16)12(5-7)8-2-9(14)4-10(15)3-8/h2-4,7,13-15H,1,5-6H2.
What are the key properties of 1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 223.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168664025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).