Carboxycinnamic Acid Bishydroxamide

C10H10N2O4 — CID 5353484

IUPACN-hydroxy-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
SMILESC1=CC(=CC(=C1)C(=O)NO)/C=C/C(=O)NO
InChIInChI=1S/C10H10N2O4/c13-9(11-15)5-4-7-2-1-3-8(6-7)10(14)12-16/h1-6,15-16H,(H,11,13)(H,12,14)/b5-4+
InChIKeyOYKBQNOPCSXWBL-SNAWJCMRSA-N
MW222.20 g/mol
LogP-0.10
Rot. Bonds3

About Carboxycinnamic Acid Bishydroxamide

Carboxycinnamic Acid Bishydroxamide (PubChem CID 5353484) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is N-hydroxy-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameCarboxycinnamic Acid Bishydroxamide
PubChem CID5353484
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC NameN-hydroxy-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
SMILESC1=CC(=CC(=C1)C(=O)NO)/C=C/C(=O)NO
InChIInChI=1S/C10H10N2O4/c13-9(11-15)5-4-7-2-1-3-8(6-7)10(14)12-16/h1-6,15-16H,(H,11,13)(H,12,14)/b5-4+
InChIKeyOYKBQNOPCSXWBL-SNAWJCMRSA-N
XLogP-0.10
TPSA98.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity291

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of Carboxycinnamic Acid Bishydroxamide?
The IUPAC name of Carboxycinnamic Acid Bishydroxamide (CID 5353484) is N-hydroxy-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for Carboxycinnamic Acid Bishydroxamide?
The canonical SMILES for Carboxycinnamic Acid Bishydroxamide is C1=CC(=CC(=C1)C(=O)NO)/C=C/C(=O)NO.
What is the InChIKey of Carboxycinnamic Acid Bishydroxamide?
The InChIKey is OYKBQNOPCSXWBL-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-9(11-15)5-4-7-2-1-3-8(6-7)10(14)12-16/h1-6,15-16H,(H,11,13)(H,12,14)/b5-4+.
What are the key properties of Carboxycinnamic Acid Bishydroxamide?
Carboxycinnamic Acid Bishydroxamide has a molecular weight of 222.20 g/mol, XLogP of -0.10, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Carboxycinnamic Acid Bishydroxamide is sourced from PubChem (CID 5353484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).