(Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile

C15H10BrN — CID 5375743

IUPAC(Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H10BrN/c16-15-8-6-12(7-9-15)10-14(11-17)13-4-2-1-3-5-13/h1-10H/b14-10+
InChIKeyPEFBVSBTLUXKPO-GXDHUFHOSA-N
MW284.16 g/mol
LogP4.51
Rot. Bonds2

About (Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile

(Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile (PubChem CID 5375743) has the molecular formula C15H10BrN and a molecular weight of 284.16 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile
PubChem CID5375743
Molecular FormulaC15H10BrN
Molecular Weight284.16 g/mol
Exact Mass283.00
IUPAC Name(Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H10BrN/c16-15-8-6-12(7-9-15)10-14(11-17)13-4-2-1-3-5-13/h1-10H/b14-10+
InChIKeyPEFBVSBTLUXKPO-GXDHUFHOSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile (CID 5375743) is (Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile is N#C/C(=C\c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of (Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile?
The InChIKey is PEFBVSBTLUXKPO-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H10BrN/c16-15-8-6-12(7-9-15)10-14(11-17)13-4-2-1-3-5-13/h1-10H/b14-10+.
What are the key properties of (Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile?
(Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile has a molecular weight of 284.16 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-bromophenyl)-2-phenylprop-2-enenitrile is sourced from PubChem (CID 5375743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).