(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one

C10H10BrNO2 — CID 122515775

IUPAC(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
SMILESO=C1[C@@H](O)CCN1c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO2/c11-7-1-3-8(4-2-7)12-6-5-9(13)10(12)14/h1-4,9,13H,5-6H2/t9-/m0/s1
InChIKeyRMQNLIHEQAKHIA-VIFPVBQESA-N
MW256.10 g/mol
LogP1.55
Rot. Bonds1

About (3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one

(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one (PubChem CID 122515775) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
PubChem CID122515775
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
SMILESO=C1[C@@H](O)CCN1c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO2/c11-7-1-3-8(4-2-7)12-6-5-9(13)10(12)14/h1-4,9,13H,5-6H2/t9-/m0/s1
InChIKeyRMQNLIHEQAKHIA-VIFPVBQESA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one?
The IUPAC name of (3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one (CID 122515775) is (3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for (3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one is O=C1[C@@H](O)CCN1c1ccc(Br)cc1.
What is the InChIKey of (3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one?
The InChIKey is RMQNLIHEQAKHIA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-7-1-3-8(4-2-7)12-6-5-9(13)10(12)14/h1-4,9,13H,5-6H2/t9-/m0/s1.
What are the key properties of (3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one?
(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one has a molecular weight of 256.10 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 122515775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).