(4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C15H21NO3 — CID 125160382

IUPAC(4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2ccc(O)c(C)c2)CC1=O
InChIInChI=1S/C15H21NO3/c1-11-7-12(3-4-14(11)17)8-13-9-15(18)16(10-13)5-6-19-2/h3-4,7,13,17H,5-6,8-10H2,1-2H3/t13-/m0/s1
InChIKeyGKHIYAPRSNNAGT-ZDUSSCGKSA-N
MW263.34 g/mol
LogP1.74
Rot. Bonds5

About (4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 125160382) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID125160382
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2ccc(O)c(C)c2)CC1=O
InChIInChI=1S/C15H21NO3/c1-11-7-12(3-4-14(11)17)8-13-9-15(18)16(10-13)5-6-19-2/h3-4,7,13,17H,5-6,8-10H2,1-2H3/t13-/m0/s1
InChIKeyGKHIYAPRSNNAGT-ZDUSSCGKSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 125160382) is (4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@@H](Cc2ccc(O)c(C)c2)CC1=O.
What is the InChIKey of (4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is GKHIYAPRSNNAGT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-7-12(3-4-14(11)17)8-13-9-15(18)16(10-13)5-6-19-2/h3-4,7,13,17H,5-6,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4-hydroxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 125160382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).