(2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide

C13H13NO2 — CID 10220017

IUPAC(2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide
SMILESO=C(/C=C/C=C/C=C/c1ccccc1)NO
InChIInChI=1S/C13H13NO2/c15-13(14-16)11-7-2-1-4-8-12-9-5-3-6-10-12/h1-11,16H,(H,14,15)/b2-1+,8-4+,11-7+
InChIKeyDBBYYRWVNDQECM-CDWOPPGASA-N
MW215.25 g/mol
LogP2.32
Rot. Bonds4

About (2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide

(2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide (PubChem CID 10220017) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide
PubChem CID10220017
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide
SMILESO=C(/C=C/C=C/C=C/c1ccccc1)NO
InChIInChI=1S/C13H13NO2/c15-13(14-16)11-7-2-1-4-8-12-9-5-3-6-10-12/h1-11,16H,(H,14,15)/b2-1+,8-4+,11-7+
InChIKeyDBBYYRWVNDQECM-CDWOPPGASA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

trans-Cinnamamide
CID 5273472
2-Propenamide, 3-phenyl-
CID 12135
Cinnamoylhydroxamic acid
CID 5355635
N-hydroxy-4-phenylbutanamide
CID 279980
Benzalcyanoacetamide
CID 725466
N-Hydroxy-E-3-(biphenyl-4-yl)-acrylamide
CID 42632368
(2E)-3-(4-Chlorophenyl)-N-hydroxyacrylamide
CID 11694089
n-Methylcinnamamide
CID 6039989
N-hydroxy-3-phenylpropanamide
CID 4118131
3-Phenyl-propynoic acid hydroxyamide
CID 16081869
E,E-5-Biphenyl-4-yl-penta-2,4-dienoic acid Nhydroxyamide
CID 42632614
1-Hydroxy-5-phenylpyridin-2-one
CID 44543378

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide?
The IUPAC name of (2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide (CID 10220017) is (2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide.
What is the SMILES notation for (2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide?
The canonical SMILES for (2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide is O=C(/C=C/C=C/C=C/c1ccccc1)NO.
What is the InChIKey of (2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide?
The InChIKey is DBBYYRWVNDQECM-CDWOPPGASA-N. The full InChI is InChI=1S/C13H13NO2/c15-13(14-16)11-7-2-1-4-8-12-9-5-3-6-10-12/h1-11,16H,(H,14,15)/b2-1+,8-4+,11-7+.
What are the key properties of (2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide?
(2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide has a molecular weight of 215.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide is sourced from PubChem (CID 10220017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).