(2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide

C14H11N3O — CID 97377775

IUPAC(2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C\C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H11N3O/c1-2-3-4-5-14(18)17-13-7-6-11(9-15)12(8-13)10-16/h2-8H,1H3,(H,17,18)/b3-2+,5-4-
InChIKeyYYWWQSWBHHGKFL-IAROGAJJSA-N
MW237.26 g/mol
LogP2.50
Rot. Bonds3

About (2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide

(2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide (PubChem CID 97377775) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is (2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide
PubChem CID97377775
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name(2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C\C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H11N3O/c1-2-3-4-5-14(18)17-13-7-6-11(9-15)12(8-13)10-16/h2-8H,1H3,(H,17,18)/b3-2+,5-4-
InChIKeyYYWWQSWBHHGKFL-IAROGAJJSA-N
XLogP2.50
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyano-4-fluorophenyl)but-2-enamide
CID 78925603
N-(3,4-dicyanophenyl)acetamide
CID 12938829
(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide
CID 26664564
4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 99872148
(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide
CID 55027801
N-(4-bromo-3-fluorophenyl)hexa-2,4-dienamide
CID 77069173
4-[[(4E)-hexa-2,4-dienoyl]amino]-2-methylbenzoic acid
CID 154810509
(2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide
CID 26696924
(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide
CID 47143172
(2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide
CID 26679975
N-(3,4-dicyanophenyl)pentanamide
CID 113240271
N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide
CID 61241779

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide?
The IUPAC name of (2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide (CID 97377775) is (2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide is C/C=C/C=C\C(=O)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of (2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide?
The InChIKey is YYWWQSWBHHGKFL-IAROGAJJSA-N. The full InChI is InChI=1S/C14H11N3O/c1-2-3-4-5-14(18)17-13-7-6-11(9-15)12(8-13)10-16/h2-8H,1H3,(H,17,18)/b3-2+,5-4-.
What are the key properties of (2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide?
(2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide has a molecular weight of 237.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide is sourced from PubChem (CID 97377775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).