1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one

C14H18BrNO2 — CID 168701831

IUPAC1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one
SMILESCC(C)(C)c1ccc(N2CC(O)CC2=O)c(Br)c1
InChIInChI=1S/C14H18BrNO2/c1-14(2,3)9-4-5-12(11(15)6-9)16-8-10(17)7-13(16)18/h4-6,10,17H,7-8H2,1-3H3
InChIKeyAKTARLAZAROXMR-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.84
Rot. Bonds1

About 1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one

1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168701831) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168701831
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one
SMILESCC(C)(C)c1ccc(N2CC(O)CC2=O)c(Br)c1
InChIInChI=1S/C14H18BrNO2/c1-14(2,3)9-4-5-12(11(15)6-9)16-8-10(17)7-13(16)18/h4-6,10,17H,7-8H2,1-3H3
InChIKeyAKTARLAZAROXMR-UHFFFAOYSA-N
XLogP2.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-tert-butylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661949
1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703521
1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one
CID 168703480
1-[2-bromo-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712545
1-[2-bromo-4-(trifluoromethyl)phenyl]-4-ethynylpyrrolidin-2-one
CID 168502349
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702437
3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one
CID 168703997
2-bromo-6-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703891
1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168702045
4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 107801564
1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703965
1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
CID 168702702

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one (CID 168701831) is 1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one is CC(C)(C)c1ccc(N2CC(O)CC2=O)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is AKTARLAZAROXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-14(2,3)9-4-5-12(11(15)6-9)16-8-10(17)7-13(16)18/h4-6,10,17H,7-8H2,1-3H3.
What are the key properties of 1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one?
1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 312.21 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168701831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).