(Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile

C17H14N2O2 — CID 1292563

IUPAC(Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
SMILESCCc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H14N2O2/c1-2-13-3-5-14(6-4-13)11-16(12-18)15-7-9-17(10-8-15)19(20)21/h3-11H,2H2,1H3/b16-11+
InChIKeyUKVFNZGALBQADD-LFIBNONCSA-N
MW278.31 g/mol
LogP4.22
Rot. Bonds4

About (Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile

(Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile (PubChem CID 1292563) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
PubChem CID1292563
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
SMILESCCc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H14N2O2/c1-2-13-3-5-14(6-4-13)11-16(12-18)15-7-9-17(10-8-15)19(20)21/h3-11H,2H2,1H3/b16-11+
InChIKeyUKVFNZGALBQADD-LFIBNONCSA-N
XLogP4.22
TPSA66.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 695771
(E)-2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2214634
2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2959641
(Z)-2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2214633
3-(3,4-diethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 4177062
(E)-3-(3,4-diethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 966542
2-(4-nitrophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile
CID 2952259
(E)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 695712
(Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 977304
2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4002691
(Z)-2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2713670
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2713671

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile (CID 1292563) is (Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile is CCc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The InChIKey is UKVFNZGALBQADD-LFIBNONCSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-2-13-3-5-14(6-4-13)11-16(12-18)15-7-9-17(10-8-15)19(20)21/h3-11H,2H2,1H3/b16-11+.
What are the key properties of (Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
(Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile has a molecular weight of 278.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile is sourced from PubChem (CID 1292563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).