2-(3,4-dihydroxyphenyl)pyrrolidin-3-one

C10H11NO3 — CID 83830296

IUPAC2-(3,4-dihydroxyphenyl)pyrrolidin-3-one
SMILESO=C1CCNC1c1ccc(O)c(O)c1
InChIInChI=1S/C10H11NO3/c12-7-2-1-6(5-9(7)14)10-8(13)3-4-11-10/h1-2,5,10-12,14H,3-4H2
InChIKeyAUUISWOXTZFQOI-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.70
Rot. Bonds1

About 2-(3,4-dihydroxyphenyl)pyrrolidin-3-one

2-(3,4-dihydroxyphenyl)pyrrolidin-3-one (PubChem CID 83830296) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)pyrrolidin-3-one.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)pyrrolidin-3-one
PubChem CID83830296
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(3,4-dihydroxyphenyl)pyrrolidin-3-one
SMILESO=C1CCNC1c1ccc(O)c(O)c1
InChIInChI=1S/C10H11NO3/c12-7-2-1-6(5-9(7)14)10-8(13)3-4-11-10/h1-2,5,10-12,14H,3-4H2
InChIKeyAUUISWOXTZFQOI-UHFFFAOYSA-N
XLogP0.70
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)pyrrolidin-3-one?
The IUPAC name of 2-(3,4-dihydroxyphenyl)pyrrolidin-3-one (CID 83830296) is 2-(3,4-dihydroxyphenyl)pyrrolidin-3-one.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)pyrrolidin-3-one?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)pyrrolidin-3-one is O=C1CCNC1c1ccc(O)c(O)c1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)pyrrolidin-3-one?
The InChIKey is AUUISWOXTZFQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-7-2-1-6(5-9(7)14)10-8(13)3-4-11-10/h1-2,5,10-12,14H,3-4H2.
What are the key properties of 2-(3,4-dihydroxyphenyl)pyrrolidin-3-one?
2-(3,4-dihydroxyphenyl)pyrrolidin-3-one has a molecular weight of 193.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)pyrrolidin-3-one is sourced from PubChem (CID 83830296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).