(Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide

C13H11N3O — CID 70588049

IUPAC(Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)/C(C#N)=C\c1ccc(C#N)cc1
InChIInChI=1S/C13H11N3O/c1-2-16-13(17)12(9-15)7-10-3-5-11(8-14)6-4-10/h3-7H,2H2,1H3,(H,16,17)/b12-7-
InChIKeyAVNZRCBHTDRLTH-GHXNOFRVSA-N
MW225.25 g/mol
LogP1.60
Rot. Bonds3

About (Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide

(Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide (PubChem CID 70588049) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide
PubChem CID70588049
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name(Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)/C(C#N)=C\c1ccc(C#N)cc1
InChIInChI=1S/C13H11N3O/c1-2-16-13(17)12(9-15)7-10-3-5-11(8-14)6-4-10/h3-7H,2H2,1H3,(H,16,17)/b12-7-
InChIKeyAVNZRCBHTDRLTH-GHXNOFRVSA-N
XLogP1.60
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-3-(4-cyanophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 6214109
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide
CID 7265065
(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
CID 177400804
(E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 18775922
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 99117795
(E)-2-cyano-N-(hydroxymethyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 58602281
(E)-N-butyl-3-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 2688873
methyl 2-[[(Z)-2-cyano-3-(4-cyanophenyl)prop-2-enoyl]amino]benzoate
CID 22302129
(E)-N-butyl-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 7745635
4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]benzonitrile
CID 5388647
N-butyl-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamide
CID 4806187
4-[(E)-3-[3-[[(E)-3-(4-carboxyphenyl)-2-cyanoprop-2-enoyl]amino]propylamino]-2-cyano-3-oxoprop-1-enyl]benzoic acid
CID 11340416

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide (CID 70588049) is (Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide is CCNC(=O)/C(C#N)=C\c1ccc(C#N)cc1.
What is the InChIKey of (Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide?
The InChIKey is AVNZRCBHTDRLTH-GHXNOFRVSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-16-13(17)12(9-15)7-10-3-5-11(8-14)6-4-10/h3-7H,2H2,1H3,(H,16,17)/b12-7-.
What are the key properties of (Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide?
(Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide has a molecular weight of 225.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 70588049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).