(4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one

C11H10BrNO2 — CID 125478526

IUPAC(4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one
SMILESC=C1C(=O)N(c2ccc(Br)cc2)C[C@@H]1O
InChIInChI=1S/C11H10BrNO2/c1-7-10(14)6-13(11(7)15)9-4-2-8(12)3-5-9/h2-5,10,14H,1,6H2/t10-/m0/s1
InChIKeyQBTBWRPIVSWZOX-JTQLQIEISA-N
MW268.11 g/mol
LogP1.71
Rot. Bonds1

About (4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one

(4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one (PubChem CID 125478526) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is (4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one
PubChem CID125478526
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name(4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one
SMILESC=C1C(=O)N(c2ccc(Br)cc2)C[C@@H]1O
InChIInChI=1S/C11H10BrNO2/c1-7-10(14)6-13(11(7)15)9-4-2-8(12)3-5-9/h2-5,10,14H,1,6H2/t10-/m0/s1
InChIKeyQBTBWRPIVSWZOX-JTQLQIEISA-N
XLogP1.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one
CID 125478721
1-(4-bromophenyl)-3-hydroxyazetidin-2-one
CID 141314029
(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
CID 122515775
(3R)-3-amino-1-(4-bromophenyl)azetidin-2-one
CID 124678513
4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one
CID 102132112
1-(4-bromophenyl)-4-methylpyrrolidin-2-one
CID 76800077
3-(4-bromophenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84808181
3-(4-bromophenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010282
1-(4-bromophenyl)-3-methoxypyrrolidin-2-one
CID 138567201
1-(4-bromophenyl)-3-(hydroxymethyl)-4,6-dimethyl-1,4-diazepan-2-one
CID 84608075
[(3S,5S)-1-(4-bromophenyl)-5-hydroxy-2-oxopiperidin-3-yl]carbamic acid
CID 137357063
3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 117011179

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one (CID 125478526) is (4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one is C=C1C(=O)N(c2ccc(Br)cc2)C[C@@H]1O.
What is the InChIKey of (4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one?
The InChIKey is QBTBWRPIVSWZOX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-7-10(14)6-13(11(7)15)9-4-2-8(12)3-5-9/h2-5,10,14H,1,6H2/t10-/m0/s1.
What are the key properties of (4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one?
(4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one has a molecular weight of 268.11 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one is sourced from PubChem (CID 125478526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).