2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine

C15H16BrN — CID 140809098

IUPAC2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine
SMILESBrc1ccc(C2=CC=C(C3CCCN3)C2)cc1
InChIInChI=1S/C15H16BrN/c16-14-7-5-11(6-8-14)12-3-4-13(10-12)15-2-1-9-17-15/h3-8,15,17H,1-2,9-10H2
InChIKeyPUPITEWNLXIUDV-UHFFFAOYSA-N
MW290.20 g/mol
LogP3.91
Rot. Bonds2

About 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine

2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine (PubChem CID 140809098) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine
PubChem CID140809098
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine
SMILESBrc1ccc(C2=CC=C(C3CCCN3)C2)cc1
InChIInChI=1S/C15H16BrN/c16-14-7-5-11(6-8-14)12-3-4-13(10-12)15-2-1-9-17-15/h3-8,15,17H,1-2,9-10H2
InChIKeyPUPITEWNLXIUDV-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine 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

2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine
CID 159361610
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
(2R)-2-(2,5-dibromophenyl)pyrrolidine
CID 131190573
(2S)-2-(2,4-dibromophenyl)pyrrolidine
CID 130706941
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
CID 118998863
CID 144634079
CID 144634079
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
(2S)-2-(2,3-dibromophenyl)pyrrolidine
CID 131217135
2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile
CID 58384693
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine?
The IUPAC name of 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine (CID 140809098) is 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine.
What is the SMILES notation for 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine?
The canonical SMILES for 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine is Brc1ccc(C2=CC=C(C3CCCN3)C2)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine?
The InChIKey is PUPITEWNLXIUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c16-14-7-5-11(6-8-14)12-3-4-13(10-12)15-2-1-9-17-15/h3-8,15,17H,1-2,9-10H2.
What are the key properties of 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine?
2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine has a molecular weight of 290.20 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine is sourced from PubChem (CID 140809098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).