N-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine

C16H17BrN2 — CID 50854444

IUPACN-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine
SMILESBrc1ccc(/N=C/c2ccn(C3CCCC3)c2)cc1
InChIInChI=1S/C16H17BrN2/c17-14-5-7-15(8-6-14)18-11-13-9-10-19(12-13)16-3-1-2-4-16/h5-12,16H,1-4H2/b18-11+
InChIKeyYRJVTWPOSYHUDL-WOJGMQOQSA-N
MW317.23 g/mol
LogP5.12
Rot. Bonds3

About N-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine

N-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine (PubChem CID 50854444) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine
PubChem CID50854444
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC NameN-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine
SMILESBrc1ccc(/N=C/c2ccn(C3CCCC3)c2)cc1
InChIInChI=1S/C16H17BrN2/c17-14-5-7-15(8-6-14)18-11-13-9-10-19(12-13)16-3-1-2-4-16/h5-12,16H,1-4H2/b18-11+
InChIKeyYRJVTWPOSYHUDL-WOJGMQOQSA-N
XLogP5.12
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.23
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine?
The IUPAC name of N-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine (CID 50854444) is N-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine is Brc1ccc(/N=C/c2ccn(C3CCCC3)c2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine?
The InChIKey is YRJVTWPOSYHUDL-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17BrN2/c17-14-5-7-15(8-6-14)18-11-13-9-10-19(12-13)16-3-1-2-4-16/h5-12,16H,1-4H2/b18-11+.
What are the key properties of N-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine?
N-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine has a molecular weight of 317.23 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(1-cyclopentylpyrrol-3-yl)methanimine is sourced from PubChem (CID 50854444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).