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

C15H21NO2 — CID 168701837

IUPAC1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one
SMILESCC(C)(C)c1ccc(CN2CC(O)CC2=O)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)12-6-4-11(5-7-12)9-16-10-13(17)8-14(16)18/h4-7,13,17H,8-10H2,1-3H3
InChIKeyLDTZYGVRKRHGLT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.08
Rot. Bonds2

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

1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one (PubChem CID 168701837) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one
PubChem CID168701837
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one
SMILESCC(C)(C)c1ccc(CN2CC(O)CC2=O)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)12-6-4-11(5-7-12)9-16-10-13(17)8-14(16)18/h4-7,13,17H,8-10H2,1-3H3
InChIKeyLDTZYGVRKRHGLT-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one (CID 168701837) is 1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one is CC(C)(C)c1ccc(CN2CC(O)CC2=O)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is LDTZYGVRKRHGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)12-6-4-11(5-7-12)9-16-10-13(17)8-14(16)18/h4-7,13,17H,8-10H2,1-3H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one?
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168701837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).