(2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide

C12H13NO2 — CID 11672892

IUPAC(2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide
SMILESCC(/C=C/C(=O)NO)=C\c1ccccc1
InChIInChI=1S/C12H13NO2/c1-10(7-8-12(14)13-15)9-11-5-3-2-4-6-11/h2-9,15H,1H3,(H,13,14)/b8-7+,10-9+
InChIKeyDMDSWHVATJGWAG-XBLVEGMJSA-N
MW203.24 g/mol
LogP2.15
Rot. Bonds3

About (2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide

(2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide (PubChem CID 11672892) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide
PubChem CID11672892
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide
SMILESCC(/C=C/C(=O)NO)=C\c1ccccc1
InChIInChI=1S/C12H13NO2/c1-10(7-8-12(14)13-15)9-11-5-3-2-4-6-11/h2-9,15H,1H3,(H,13,14)/b8-7+,10-9+
InChIKeyDMDSWHVATJGWAG-XBLVEGMJSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide (CID 11672892) is (2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide is CC(/C=C/C(=O)NO)=C\c1ccccc1.
What is the InChIKey of (2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide?
The InChIKey is DMDSWHVATJGWAG-XBLVEGMJSA-N. The full InChI is InChI=1S/C12H13NO2/c1-10(7-8-12(14)13-15)9-11-5-3-2-4-6-11/h2-9,15H,1H3,(H,13,14)/b8-7+,10-9+.
What are the key properties of (2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide?
(2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide has a molecular weight of 203.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 11672892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).