1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one

C13H15NO3 — CID 105492461

IUPAC1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one
SMILESO=C1CC(O)C(c2ccccc2O)N1C1CC1
InChIInChI=1S/C13H15NO3/c15-10-4-2-1-3-9(10)13-11(16)7-12(17)14(13)8-5-6-8/h1-4,8,11,13,15-16H,5-7H2
InChIKeyVZMCSNVHNDYOSN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.19
Rot. Bonds2

About 1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one

1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one (PubChem CID 105492461) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one
PubChem CID105492461
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one
SMILESO=C1CC(O)C(c2ccccc2O)N1C1CC1
InChIInChI=1S/C13H15NO3/c15-10-4-2-1-3-9(10)13-11(16)7-12(17)14(13)8-5-6-8/h1-4,8,11,13,15-16H,5-7H2
InChIKeyVZMCSNVHNDYOSN-UHFFFAOYSA-N
XLogP1.19
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one (CID 105492461) is 1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one is O=C1CC(O)C(c2ccccc2O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one?
The InChIKey is VZMCSNVHNDYOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-10-4-2-1-3-9(10)13-11(16)7-12(17)14(13)8-5-6-8/h1-4,8,11,13,15-16H,5-7H2.
What are the key properties of 1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one?
1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 105492461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).