1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one

C10H9BrClNO2 — CID 168689299

IUPAC1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ccc(Br)cc1O
InChIInChI=1S/C10H9BrClNO2/c11-6-1-2-8(9(14)3-6)13-5-7(12)4-10(13)15/h1-3,7,14H,4-5H2
InChIKeyOSAZOJMVVPQVJT-UHFFFAOYSA-N
MW290.54 g/mol
LogP2.50
Rot. Bonds1

About 1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one

1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one (PubChem CID 168689299) has the molecular formula C10H9BrClNO2 and a molecular weight of 290.54 g/mol. Its IUPAC name is 1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one
PubChem CID168689299
Molecular FormulaC10H9BrClNO2
Molecular Weight290.54 g/mol
Exact Mass288.95
IUPAC Name1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ccc(Br)cc1O
InChIInChI=1S/C10H9BrClNO2/c11-6-1-2-8(9(14)3-6)13-5-7(12)4-10(13)15/h1-3,7,14H,4-5H2
InChIKeyOSAZOJMVVPQVJT-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-hydroxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671653
4-(azidomethyl)-1-(4-bromo-2-hydroxyphenyl)pyrrolidin-2-one
CID 168657898
1-(2-bromo-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688070
3-(4-chloro-2-oxopyrrolidin-1-yl)-4-hydroxybenzenesulfonic acid
CID 168689088
1-(2-bromo-3-fluorophenyl)-4-chloropyrrolidin-2-one
CID 168689808
4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 168689348
1-(2-amino-4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691824
(3S)-1-(4-bromo-2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075852
1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688085
1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one
CID 168703480
1-[2-bromo-4-(trifluoromethoxy)phenyl]-4-chloropyrrolidin-2-one
CID 168689366

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one (CID 168689299) is 1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one is O=C1CC(Cl)CN1c1ccc(Br)cc1O.
What is the InChIKey of 1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one?
The InChIKey is OSAZOJMVVPQVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO2/c11-6-1-2-8(9(14)3-6)13-5-7(12)4-10(13)15/h1-3,7,14H,4-5H2.
What are the key properties of 1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one?
1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one has a molecular weight of 290.54 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one is sourced from PubChem (CID 168689299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).