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

C10H10BrNO — CID 59165913

IUPAC3-(3-bromophenyl)pyrrolidin-2-one
SMILESO=C1NCCC1c1cccc(Br)c1
InChIInChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)9-4-5-12-10(9)13/h1-3,6,9H,4-5H2,(H,12,13)
InChIKeyCLYILMPDEBXAEY-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.05
Rot. Bonds1

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

3-(3-bromophenyl)pyrrolidin-2-one (PubChem CID 59165913) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-(3-bromophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-bromophenyl)pyrrolidin-2-one
PubChem CID59165913
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name3-(3-bromophenyl)pyrrolidin-2-one
SMILESO=C1NCCC1c1cccc(Br)c1
InChIInChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)9-4-5-12-10(9)13/h1-3,6,9H,4-5H2,(H,12,13)
InChIKeyCLYILMPDEBXAEY-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-bromophenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Phenyl-2-pyrrolidinone
CID 121397
3-Bromophenylsuccinimide
CID 65706
2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone
CID 669928
2-Pyrrolidinone, 3-phenyl-
CID 201789
3-Benzylpyrrolidin-2-one
CID 10241299
(4R)-4-phenylpyrrolidin-2-one
CID 641621
N-(3-Phenyl)propyl-2-(4-bromophenylacetamide)
CID 44578696
2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide
CID 2117799
2-(4-bromophenyl)-N-(pentan-2-yl)acetamide
CID 2905249
N-[3-(3-bromophenyl)propyl]propanamide
CID 10563944
N-[3-(3-bromophenyl)propyl]butanamide
CID 10589086

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)pyrrolidin-2-one?
The IUPAC name of 3-(3-bromophenyl)pyrrolidin-2-one (CID 59165913) is 3-(3-bromophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(3-bromophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(3-bromophenyl)pyrrolidin-2-one is O=C1NCCC1c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)pyrrolidin-2-one?
The InChIKey is CLYILMPDEBXAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)9-4-5-12-10(9)13/h1-3,6,9H,4-5H2,(H,12,13).
What are the key properties of 3-(3-bromophenyl)pyrrolidin-2-one?
3-(3-bromophenyl)pyrrolidin-2-one has a molecular weight of 240.10 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)pyrrolidin-2-one is sourced from PubChem (CID 59165913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).