N-hydroxy-5-oxopenta-2,4-dienamide

C5H5NO3 — CID 91117670

IUPACN-hydroxy-5-oxopenta-2,4-dienamide
SMILESO=C=CC=CC(=O)NO
InChIInChI=1S/C5H5NO3/c7-4-2-1-3-5(8)6-9/h1-3,9H,(H,6,8)
InChIKeyADIXTSRERZKPOG-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.56
Rot. Bonds2

About N-hydroxy-5-oxopenta-2,4-dienamide

N-hydroxy-5-oxopenta-2,4-dienamide (PubChem CID 91117670) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is N-hydroxy-5-oxopenta-2,4-dienamide.

Molecular Properties

Compound NameN-hydroxy-5-oxopenta-2,4-dienamide
PubChem CID91117670
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC NameN-hydroxy-5-oxopenta-2,4-dienamide
SMILESO=C=CC=CC(=O)NO
InChIInChI=1S/C5H5NO3/c7-4-2-1-3-5(8)6-9/h1-3,9H,(H,6,8)
InChIKeyADIXTSRERZKPOG-UHFFFAOYSA-N
XLogP-0.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'ketene', '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

(2E,4E)-N-Hydroxy-2,4-hexadienamide
CID 5864959
2-Butenohydroxyamic acid
CID 12551466
Muconic acid diamide
CID 55281494
Pentadienamide
CID 12228848
Oxazepinone
CID 22648891
Penta-2,4-dienamide
CID 53793878
Hexa-2,4-dienediamide
CID 54061551
Hexa-2,4-dienehydroxamic acid
CID 98414
(E)-N,N'-dihydroxybut-2-enediamide
CID 18934267
(E)-N-hydroxypent-2-en-4-ynamide
CID 23086819
N-hydroxybut-2-enamide
CID 53708930
5-Ethenyl-1,2-oxazol-3-one
CID 57899089

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-oxopenta-2,4-dienamide?
The IUPAC name of N-hydroxy-5-oxopenta-2,4-dienamide (CID 91117670) is N-hydroxy-5-oxopenta-2,4-dienamide.
What is the SMILES notation for N-hydroxy-5-oxopenta-2,4-dienamide?
The canonical SMILES for N-hydroxy-5-oxopenta-2,4-dienamide is O=C=CC=CC(=O)NO.
What is the InChIKey of N-hydroxy-5-oxopenta-2,4-dienamide?
The InChIKey is ADIXTSRERZKPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-4-2-1-3-5(8)6-9/h1-3,9H,(H,6,8).
What are the key properties of N-hydroxy-5-oxopenta-2,4-dienamide?
N-hydroxy-5-oxopenta-2,4-dienamide has a molecular weight of 127.10 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-oxopenta-2,4-dienamide is sourced from PubChem (CID 91117670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).