(5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one

C15H19NO3 — CID 163926040

IUPAC(5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(=O)c1ccc(CCN2C(=O)CC[C@@H]2CO)cc1
InChIInChI=1S/C15H19NO3/c1-11(18)13-4-2-12(3-5-13)8-9-16-14(10-17)6-7-15(16)19/h2-5,14,17H,6-10H2,1H3/t14-/m1/s1
InChIKeyREOFJXIFUKREDN-CQSZACIVSA-N
MW261.32 g/mol
LogP1.41
Rot. Bonds5

About (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one

(5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 163926040) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID163926040
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(=O)c1ccc(CCN2C(=O)CC[C@@H]2CO)cc1
InChIInChI=1S/C15H19NO3/c1-11(18)13-4-2-12(3-5-13)8-9-16-14(10-17)6-7-15(16)19/h2-5,14,17H,6-10H2,1H3/t14-/m1/s1
InChIKeyREOFJXIFUKREDN-CQSZACIVSA-N
XLogP1.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]benzoic acid
CID 59752145
4-[2-[2-(3-hydroxy-4-methyl-4-phenylpentyl)-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 10024489
4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 69250449
1-ethyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 59752136
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
4-[2-[(2R)-2-(2-bromoethenyl)-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 173143097
4-[3-[1-(3-cyclohexylpropyl)-5-oxopyrrolidin-2-yl]propyl]benzoic acid
CID 143239332
methyl 4-[2-[(2R)-2-(2,2-dibromoethenyl)-5-oxopyrrolidin-1-yl]ethyl]benzoate
CID 87714246
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
4-[2-[(2R)-2-(4,5-dimethylhexa-1,3-dienyl)-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 91445641
4-[2-[2-[(Z)-3-hydroxypent-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 10425961
methyl 4-[2-[(2R)-2-[(1E,3Z)-4-methylhexa-1,3-dienyl]-5-oxopyrrolidin-1-yl]ethyl]benzoate
CID 87871382

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one (CID 163926040) is (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one is CC(=O)c1ccc(CCN2C(=O)CC[C@@H]2CO)cc1.
What is the InChIKey of (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is REOFJXIFUKREDN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(18)13-4-2-12(3-5-13)8-9-16-14(10-17)6-7-15(16)19/h2-5,14,17H,6-10H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one?
(5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 163926040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).