(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione

C11H10BrNO2 — CID 98056157

IUPAC(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@@H](c2cccc(Br)c2)C1=O
InChIInChI=1S/C11H10BrNO2/c1-13-10(14)6-9(11(13)15)7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3/t9-/m0/s1
InChIKeyBEDAORKNVNNLMW-VIFPVBQESA-N
MW268.11 g/mol
LogP1.92
Rot. Bonds1

About (3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione

(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 98056157) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is (3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID98056157
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@@H](c2cccc(Br)c2)C1=O
InChIInChI=1S/C11H10BrNO2/c1-13-10(14)6-9(11(13)15)7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3/t9-/m0/s1
InChIKeyBEDAORKNVNNLMW-VIFPVBQESA-N
XLogP1.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione (CID 98056157) is (3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione is CN1C(=O)C[C@@H](c2cccc(Br)c2)C1=O.
What is the InChIKey of (3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is BEDAORKNVNNLMW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-13-10(14)6-9(11(13)15)7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione?
(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 268.11 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 98056157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).