2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile

C15H10BrN — CID 10517136

IUPAC2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile
SMILESN#Cc1ccccc1/C=C(\Br)c1ccccc1
InChIInChI=1S/C15H10BrN/c16-15(12-6-2-1-3-7-12)10-13-8-4-5-9-14(13)11-17/h1-10H/b15-10-
InChIKeyOBWVXVBXLQFQJS-GDNBJRDFSA-N
MW284.16 g/mol
LogP4.45
Rot. Bonds2

About 2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile

2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile (PubChem CID 10517136) has the molecular formula C15H10BrN and a molecular weight of 284.16 g/mol. Its IUPAC name is 2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile.

Molecular Properties

Compound Name2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile
PubChem CID10517136
Molecular FormulaC15H10BrN
Molecular Weight284.16 g/mol
Exact Mass283.00
IUPAC Name2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile
SMILESN#Cc1ccccc1/C=C(\Br)c1ccccc1
InChIInChI=1S/C15H10BrN/c16-15(12-6-2-1-3-7-12)10-13-8-4-5-9-14(13)11-17/h1-10H/b15-10-
InChIKeyOBWVXVBXLQFQJS-GDNBJRDFSA-N
XLogP4.45
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile?
The IUPAC name of 2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile (CID 10517136) is 2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile.
What is the SMILES notation for 2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile?
The canonical SMILES for 2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile is N#Cc1ccccc1/C=C(\Br)c1ccccc1.
What is the InChIKey of 2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile?
The InChIKey is OBWVXVBXLQFQJS-GDNBJRDFSA-N. The full InChI is InChI=1S/C15H10BrN/c16-15(12-6-2-1-3-7-12)10-13-8-4-5-9-14(13)11-17/h1-10H/b15-10-.
What are the key properties of 2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile?
2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile has a molecular weight of 284.16 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile is sourced from PubChem (CID 10517136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).