1-(3-bromophenyl)pyrrolidin-2-one

C10H10BrNO — CID 899668

IUPAC1-(3-bromophenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(Br)c1
InChIInChI=1S/C10H10BrNO/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6H2
InChIKeyQKSLLUAHJIQQGI-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.58
Rot. Bonds1

About 1-(3-bromophenyl)pyrrolidin-2-one

1-(3-bromophenyl)pyrrolidin-2-one (PubChem CID 899668) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 1-(3-bromophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)pyrrolidin-2-one
PubChem CID899668
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name1-(3-bromophenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(Br)c1
InChIInChI=1S/C10H10BrNO/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6H2
InChIKeyQKSLLUAHJIQQGI-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-1H-pyrrole-2,5-dione
CID 708855
1-(4-Bromophenyl)pyrrolidin-2-one
CID 736110
3'-Bromopropionanilide
CID 806279
1-Phenylpyrrolidin-2-one
CID 78375
N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112067
N-(4-Bromophenyl)succinimide
CID 265738
N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 9549367
N-(3-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 660492
N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide
CID 3124662
1-(4-Fluorophenyl)-2-pyrrolidinone
CID 1485875
N-(3-Bromophenyl)succinimide
CID 2757162
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2902416

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-bromophenyl)pyrrolidin-2-one (CID 899668) is 1-(3-bromophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromophenyl)pyrrolidin-2-one is O=C1CCCN1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)pyrrolidin-2-one?
The InChIKey is QKSLLUAHJIQQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6H2.
What are the key properties of 1-(3-bromophenyl)pyrrolidin-2-one?
1-(3-bromophenyl)pyrrolidin-2-one has a molecular weight of 240.10 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)pyrrolidin-2-one is sourced from PubChem (CID 899668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).