N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide

C8H7NO3 — CID 176518088

IUPACN-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide
SMILESO=C=C1C=CC=CC1C(=O)NO
InChIInChI=1S/C8H7NO3/c10-5-6-3-1-2-4-7(6)8(11)9-12/h1-4,7,12H,(H,9,11)
InChIKeyYBDDZULUGDVAJT-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.01
Rot. Bonds1

About N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide

N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 176518088) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide
PubChem CID176518088
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC NameN-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide
SMILESO=C=C1C=CC=CC1C(=O)NO
InChIInChI=1S/C8H7NO3/c10-5-6-3-1-2-4-7(6)8(11)9-12/h1-4,7,12H,(H,9,11)
InChIKeyYBDDZULUGDVAJT-UHFFFAOYSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.01
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4R,5E)-N-hydroxy-4-methylocta-5,7-dienamide
CID 15930225
2-Oxomethylenebenzamide
CID 129851024
4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide
CID 88968664
4-Methylcyclohexa-2,4-diene-1-carboxamide
CID 19593437
N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten
CID 58805984
(6E)-6-ethylidenecyclohexa-2,4-diene-1-carboxamide
CID 89811507
2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide
CID 118218247
(4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide
CID 126611983
2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide
CID 129171956
(E)-2-ethyl-N-hydroxyhept-3-enamide
CID 141365704
(2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide
CID 143355747
N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide
CID 143576065

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide (CID 176518088) is N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide is O=C=C1C=CC=CC1C(=O)NO.
What is the InChIKey of N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is YBDDZULUGDVAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c10-5-6-3-1-2-4-7(6)8(11)9-12/h1-4,7,12H,(H,9,11).
What are the key properties of N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide?
N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 165.15 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 176518088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).