4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one

C12H13NO4 — CID 3060806

IUPAC4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CC(O)CC2=O)cc1
InChIInChI=1S/C12H13NO4/c1-17-10-4-2-8(3-5-10)12(16)13-7-9(14)6-11(13)15/h2-5,9,14H,6-7H2,1H3
InChIKeySRMMAOXDXMDUGY-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.43
Rot. Bonds2

About 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one

4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one (PubChem CID 3060806) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one
PubChem CID3060806
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CC(O)CC2=O)cc1
InChIInChI=1S/C12H13NO4/c1-17-10-4-2-8(3-5-10)12(16)13-7-9(14)6-11(13)15/h2-5,9,14H,6-7H2,1H3
InChIKeySRMMAOXDXMDUGY-UHFFFAOYSA-N
XLogP0.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one (CID 3060806) is 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one is COc1ccc(C(=O)N2CC(O)CC2=O)cc1.
What is the InChIKey of 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one?
The InChIKey is SRMMAOXDXMDUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-17-10-4-2-8(3-5-10)12(16)13-7-9(14)6-11(13)15/h2-5,9,14H,6-7H2,1H3.
What are the key properties of 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one?
4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one has a molecular weight of 235.24 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 3060806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).