(Z)-3-chloro-2,3-diphenylprop-2-enenitrile

C15H10ClN — CID 21395317

IUPAC(Z)-3-chloro-2,3-diphenylprop-2-enenitrile
SMILESN#C/C(=C(\Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H10ClN/c16-15(13-9-5-2-6-10-13)14(11-17)12-7-3-1-4-8-12/h1-10H/b15-14+
InChIKeyYBCUGNOELMYKKL-CCEZHUSRSA-N
MW239.71 g/mol
LogP4.32
Rot. Bonds2

About (Z)-3-chloro-2,3-diphenylprop-2-enenitrile

(Z)-3-chloro-2,3-diphenylprop-2-enenitrile (PubChem CID 21395317) has the molecular formula C15H10ClN and a molecular weight of 239.71 g/mol. Its IUPAC name is (Z)-3-chloro-2,3-diphenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-chloro-2,3-diphenylprop-2-enenitrile
PubChem CID21395317
Molecular FormulaC15H10ClN
Molecular Weight239.71 g/mol
Exact Mass239.05
IUPAC Name(Z)-3-chloro-2,3-diphenylprop-2-enenitrile
SMILESN#C/C(=C(\Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H10ClN/c16-15(13-9-5-2-6-10-13)14(11-17)12-7-3-1-4-8-12/h1-10H/b15-14+
InChIKeyYBCUGNOELMYKKL-CCEZHUSRSA-N
XLogP4.32
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 54.32
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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Related Compounds

3-chloro-2-(4-methoxyphenyl)-3-phenylprop-2-enenitrile
CID 54029927
3-chloro-3-(4-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 54258462
(E)-3-chloro-3-iodo-2-phenylprop-2-enenitrile
CID 134893810
(Z)-3-chloro-3-(3-chloro-5-methylphenyl)-2-phenylprop-2-enenitrile
CID 81323269
3-(3-bromo-5-fluorophenyl)-3-chloro-2-phenylprop-2-enenitrile
CID 76922667
3-chloro-3-(2-methylsulfanylphenyl)-2-phenylprop-2-enenitrile
CID 79217106
3-(5-bromofuran-2-yl)-3-chloro-2-phenylprop-2-enenitrile
CID 76922529
(E)-3-chloro-3-(3-chlorothiophen-2-yl)-2-phenylprop-2-enenitrile
CID 80642554
3-chloro-3-(2-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 76922450
3-chloro-3-(3-methoxy-4-methylphenyl)-2-phenylprop-2-enenitrile
CID 76922528
3-chloro-3-(2,5-difluorophenyl)-2-phenylprop-2-enenitrile
CID 76922610
3-chloro-3-(2,5-dimethylphenyl)-2-phenylprop-2-enenitrile
CID 76922556

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2,3-diphenylprop-2-enenitrile?
The IUPAC name of (Z)-3-chloro-2,3-diphenylprop-2-enenitrile (CID 21395317) is (Z)-3-chloro-2,3-diphenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-chloro-2,3-diphenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-chloro-2,3-diphenylprop-2-enenitrile is N#C/C(=C(\Cl)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-chloro-2,3-diphenylprop-2-enenitrile?
The InChIKey is YBCUGNOELMYKKL-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H10ClN/c16-15(13-9-5-2-6-10-13)14(11-17)12-7-3-1-4-8-12/h1-10H/b15-14+.
What are the key properties of (Z)-3-chloro-2,3-diphenylprop-2-enenitrile?
(Z)-3-chloro-2,3-diphenylprop-2-enenitrile has a molecular weight of 239.71 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-2,3-diphenylprop-2-enenitrile is sourced from PubChem (CID 21395317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).