(Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile

C15H9Cl2N — CID 789807

IUPAC(Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2N/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-9H/b13-9+
InChIKeyYWNTXOMZGAMPDE-UKTHLTGXSA-N
MW274.15 g/mol
LogP5.06
Rot. Bonds2

About (Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile

(Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile (PubChem CID 789807) has the molecular formula C15H9Cl2N and a molecular weight of 274.15 g/mol. Its IUPAC name is (Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile
PubChem CID789807
Molecular FormulaC15H9Cl2N
Molecular Weight274.15 g/mol
Exact Mass273.01
IUPAC Name(Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2N/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-9H/b13-9+
InChIKeyYWNTXOMZGAMPDE-UKTHLTGXSA-N
XLogP5.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.15
LogP ≤ 55.06
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)-2,3-bis(4-chlorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile (CID 789807) is (Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile is N#C/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile?
The InChIKey is YWNTXOMZGAMPDE-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H9Cl2N/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-9H/b13-9+.
What are the key properties of (Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile?
(Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile has a molecular weight of 274.15 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile is sourced from PubChem (CID 789807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).