4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one

C14H19NO3 — CID 118535332

IUPAC4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCOc1ccccc1C1C(=O)N(C(C)C)CC1O
InChIInChI=1S/C14H19NO3/c1-9(2)15-8-11(16)13(14(15)17)10-6-4-5-7-12(10)18-3/h4-7,9,11,13,16H,8H2,1-3H3
InChIKeyPRXNQDPFIKVLAQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.39
Rot. Bonds3

About 4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one

4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 118535332) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID118535332
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCOc1ccccc1C1C(=O)N(C(C)C)CC1O
InChIInChI=1S/C14H19NO3/c1-9(2)15-8-11(16)13(14(15)17)10-6-4-5-7-12(10)18-3/h4-7,9,11,13,16H,8H2,1-3H3
InChIKeyPRXNQDPFIKVLAQ-UHFFFAOYSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one (CID 118535332) is 4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one is COc1ccccc1C1C(=O)N(C(C)C)CC1O.
What is the InChIKey of 4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is PRXNQDPFIKVLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(2)15-8-11(16)13(14(15)17)10-6-4-5-7-12(10)18-3/h4-7,9,11,13,16H,8H2,1-3H3.
What are the key properties of 4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one?
4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 118535332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).