N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine

C13H12BrN — CID 15244462

IUPACN-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine
SMILESC/C(=N\c1ccc(Br)cc1)C1=CC=CC1
InChIInChI=1S/C13H12BrN/c1-10(11-4-2-3-5-11)15-13-8-6-12(14)7-9-13/h2-4,6-9H,5H2,1H3/b15-10+
InChIKeyYBXVMHXYTUPQBD-XNTDXEJSSA-N
MW262.15 g/mol
LogP4.43
Rot. Bonds2

About N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine

N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine (PubChem CID 15244462) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine
PubChem CID15244462
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC NameN-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine
SMILESC/C(=N\c1ccc(Br)cc1)C1=CC=CC1
InChIInChI=1S/C13H12BrN/c1-10(11-4-2-3-5-11)15-13-8-6-12(14)7-9-13/h2-4,6-9H,5H2,1H3/b15-10+
InChIKeyYBXVMHXYTUPQBD-XNTDXEJSSA-N
XLogP4.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-cyclopenta-1,3-dien-1-ylethanimine?
The IUPAC name of N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine (CID 15244462) is N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine?
The canonical SMILES for N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine is C/C(=N\c1ccc(Br)cc1)C1=CC=CC1.
What is the InChIKey of N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine?
The InChIKey is YBXVMHXYTUPQBD-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H12BrN/c1-10(11-4-2-3-5-11)15-13-8-6-12(14)7-9-13/h2-4,6-9H,5H2,1H3/b15-10+.
What are the key properties of N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine?
N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine has a molecular weight of 262.15 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine is sourced from PubChem (CID 15244462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).