benzene;cyclopentanone;hydrobromide

C11H15BrO — CID 174831294

IUPACbenzene;cyclopentanone;hydrobromide
SMILESBr.O=C1CCCC1.c1ccccc1
InChIInChI=1S/C6H6.C5H8O.BrH/c1-2-4-6-5-3-1;6-5-3-1-2-4-5;/h1-6H;1-4H2;1H
InChIKeyWSZPLPHVBBIKDS-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.39
Rot. Bonds

About benzene;cyclopentanone;hydrobromide

benzene;cyclopentanone;hydrobromide (PubChem CID 174831294) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is benzene;cyclopentanone;hydrobromide.

Molecular Properties

Compound Namebenzene;cyclopentanone;hydrobromide
PubChem CID174831294
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Namebenzene;cyclopentanone;hydrobromide
SMILESBr.O=C1CCCC1.c1ccccc1
InChIInChI=1S/C6H6.C5H8O.BrH/c1-2-4-6-5-3-1;6-5-3-1-2-4-5;/h1-6H;1-4H2;1H
InChIKeyWSZPLPHVBBIKDS-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze benzene;cyclopentanone;hydrobromide 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 benzene;cyclopentanone;hydrobromide?
The IUPAC name of benzene;cyclopentanone;hydrobromide (CID 174831294) is benzene;cyclopentanone;hydrobromide.
What is the SMILES notation for benzene;cyclopentanone;hydrobromide?
The canonical SMILES for benzene;cyclopentanone;hydrobromide is Br.O=C1CCCC1.c1ccccc1.
What is the InChIKey of benzene;cyclopentanone;hydrobromide?
The InChIKey is WSZPLPHVBBIKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H8O.BrH/c1-2-4-6-5-3-1;6-5-3-1-2-4-5;/h1-6H;1-4H2;1H.
What are the key properties of benzene;cyclopentanone;hydrobromide?
benzene;cyclopentanone;hydrobromide has a molecular weight of 243.14 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclopentanone;hydrobromide is sourced from PubChem (CID 174831294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).