(2E,4E)-2-phenylhexa-2,4-dienamide

C12H13NO — CID 173390067

IUPAC(2E,4E)-2-phenylhexa-2,4-dienamide
SMILESC/C=C/C=C(/C(N)=O)c1ccccc1
InChIInChI=1S/C12H13NO/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h2-9H,1H3,(H2,13,14)/b3-2+,11-9+
InChIKeyVPIHFZJNCDIVKY-QDWNBNDKSA-N
MW187.24 g/mol
LogP2.13
Rot. Bonds3

About (2E,4E)-2-phenylhexa-2,4-dienamide

(2E,4E)-2-phenylhexa-2,4-dienamide (PubChem CID 173390067) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (2E,4E)-2-phenylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-phenylhexa-2,4-dienamide
PubChem CID173390067
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(2E,4E)-2-phenylhexa-2,4-dienamide
SMILESC/C=C/C=C(/C(N)=O)c1ccccc1
InChIInChI=1S/C12H13NO/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h2-9H,1H3,(H2,13,14)/b3-2+,11-9+
InChIKeyVPIHFZJNCDIVKY-QDWNBNDKSA-N
XLogP2.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(2E,4Z,6Z)-4-phenylocta-2,4,6-trien-3-amine
CID 167165568
(2E,4Z)-2-methyl-1-phenylhexa-2,4-dien-1-one
CID 155076161
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
(Z)-3-(2-methylhydrazinyl)-2-phenylprop-2-enamide
CID 153392907
3-amino-3-oxo-2-phenylprop-1-ene-1-sulfonic acid
CID 141302392
3-ethoxy-2-phenylprop-2-enamide
CID 66596692
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
benzamide;2,3-dimethylbutane
CID 162214835
1-phenylhexa-2,4-dien-1-one
CID 57351073
2-phenylbut-2-enoate
CID 4099750
(E)-2-phenylbut-2-enoate
CID 6379118
(E)-2-phenylbut-2-enethioamide
CID 158611292

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-phenylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-2-phenylhexa-2,4-dienamide (CID 173390067) is (2E,4E)-2-phenylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-phenylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-phenylhexa-2,4-dienamide is C/C=C/C=C(/C(N)=O)c1ccccc1.
What is the InChIKey of (2E,4E)-2-phenylhexa-2,4-dienamide?
The InChIKey is VPIHFZJNCDIVKY-QDWNBNDKSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h2-9H,1H3,(H2,13,14)/b3-2+,11-9+.
What are the key properties of (2E,4E)-2-phenylhexa-2,4-dienamide?
(2E,4E)-2-phenylhexa-2,4-dienamide has a molecular weight of 187.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-phenylhexa-2,4-dienamide is sourced from PubChem (CID 173390067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).