2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one

C17H20BrNO2 — CID 79538751

IUPAC2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO2/c18-13-8-6-12(7-9-13)11-17(21)19-10-2-4-15(19)14-3-1-5-16(14)20/h6-9,14-15H,1-5,10-11H2
InChIKeyJRMIFEWGANWRMQ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.35
Rot. Bonds3

About 2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one

2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79538751) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79538751
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO2/c18-13-8-6-12(7-9-13)11-17(21)19-10-2-4-15(19)14-3-1-5-16(14)20/h6-9,14-15H,1-5,10-11H2
InChIKeyJRMIFEWGANWRMQ-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one (CID 79538751) is 2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCN1C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is JRMIFEWGANWRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c18-13-8-6-12(7-9-13)11-17(21)19-10-2-4-15(19)14-3-1-5-16(14)20/h6-9,14-15H,1-5,10-11H2.
What are the key properties of 2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 350.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-bromophenyl)acetyl]pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79538751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).