1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one

C16H23NO2 — CID 168701836

IUPAC1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
SMILESCC(C)(C)c1ccc(CCN2CC(O)CC2=O)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)13-6-4-12(5-7-13)8-9-17-11-14(18)10-15(17)19/h4-7,14,18H,8-11H2,1-3H3
InChIKeyODWJCAKTUYSOSI-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.12
Rot. Bonds3

About 1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one

1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one (PubChem CID 168701836) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
PubChem CID168701836
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
SMILESCC(C)(C)c1ccc(CCN2CC(O)CC2=O)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)13-6-4-12(5-7-13)8-9-17-11-14(18)10-15(17)19/h4-7,14,18H,8-11H2,1-3H3
InChIKeyODWJCAKTUYSOSI-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168701837
1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702055
[1-[2-(4-tert-butylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680607
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702309
5-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 168691390
4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168702349
4-sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
CID 168709403
4-hydroxy-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168702962
1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702642
tert-butyl 6-hydroxy-3-oxo-4-(2-phenylethyl)-1,4-diazepane-1-carboxylate
CID 118738680
S-[[5-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]methyl] ethanethioate
CID 168667670
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one (CID 168701836) is 1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one is CC(C)(C)c1ccc(CCN2CC(O)CC2=O)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is ODWJCAKTUYSOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)13-6-4-12(5-7-13)8-9-17-11-14(18)10-15(17)19/h4-7,14,18H,8-11H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one?
1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 261.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168701836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).