(2E,6Z)-7-phenylhepta-2,6-dienamide

C13H15NO — CID 70372296

IUPAC(2E,6Z)-7-phenylhepta-2,6-dienamide
SMILESNC(=O)/C=C/CC/C=C\c1ccccc1
InChIInChI=1S/C13H15NO/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3-11H,1-2H2,(H2,14,15)/b8-4-,11-7+
InChIKeyACZDPWMVBMBGSW-USRDNGHPSA-N
MW201.27 g/mol
LogP2.52
Rot. Bonds5

About (2E,6Z)-7-phenylhepta-2,6-dienamide

(2E,6Z)-7-phenylhepta-2,6-dienamide (PubChem CID 70372296) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2E,6Z)-7-phenylhepta-2,6-dienamide.

Molecular Properties

Compound Name(2E,6Z)-7-phenylhepta-2,6-dienamide
PubChem CID70372296
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2E,6Z)-7-phenylhepta-2,6-dienamide
SMILESNC(=O)/C=C/CC/C=C\c1ccccc1
InChIInChI=1S/C13H15NO/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3-11H,1-2H2,(H2,14,15)/b8-4-,11-7+
InChIKeyACZDPWMVBMBGSW-USRDNGHPSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,6Z)-7-phenylhepta-2,6-dienoyl chloride
CID 88613948
(E)-5-phenylpent-4-enoic acid
CID 5370650
(E)-5-phenylpent-4-enal
CID 11105652
(E)-3-phenylprop-2-enamide;prop-2-enamide
CID 66955302
1-(3,5-dimethylpiperidin-1-yl)-7-phenylhepta-2,6-dien-1-one
CID 57005332
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
[(E)-4-phenylbut-3-enyl]carbamic acid
CID 22018485
9-phenylnon-2-enamide
CID 123957146
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol
CID 175582028
(E)-9-phenylnon-8-en-1-ol
CID 10489025
(E)-3-phenylprop-2-enamide;1-phenylpropylbenzene
CID 142088142

Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-7-phenylhepta-2,6-dienamide?
The IUPAC name of (2E,6Z)-7-phenylhepta-2,6-dienamide (CID 70372296) is (2E,6Z)-7-phenylhepta-2,6-dienamide.
What is the SMILES notation for (2E,6Z)-7-phenylhepta-2,6-dienamide?
The canonical SMILES for (2E,6Z)-7-phenylhepta-2,6-dienamide is NC(=O)/C=C/CC/C=C\c1ccccc1.
What is the InChIKey of (2E,6Z)-7-phenylhepta-2,6-dienamide?
The InChIKey is ACZDPWMVBMBGSW-USRDNGHPSA-N. The full InChI is InChI=1S/C13H15NO/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3-11H,1-2H2,(H2,14,15)/b8-4-,11-7+.
What are the key properties of (2E,6Z)-7-phenylhepta-2,6-dienamide?
(2E,6Z)-7-phenylhepta-2,6-dienamide has a molecular weight of 201.27 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-7-phenylhepta-2,6-dienamide is sourced from PubChem (CID 70372296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).