[3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate

C8H6N2O4 — CID 134488532

IUPAC[3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate
SMILESN#COc1ccc(C(=O)NO)c(O)c1
InChIInChI=1S/C8H6N2O4/c9-4-14-5-1-2-6(7(11)3-5)8(12)10-13/h1-3,11,13H,(H,10,12)
InChIKeyUFMQRBSXYGCCMW-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.37
Rot. Bonds2

About [3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate

[3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate (PubChem CID 134488532) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is [3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate.

Molecular Properties

Compound Name[3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate
PubChem CID134488532
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name[3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate
SMILESN#COc1ccc(C(=O)NO)c(O)c1
InChIInChI=1S/C8H6N2O4/c9-4-14-5-1-2-6(7(11)3-5)8(12)10-13/h1-3,11,13H,(H,10,12)
InChIKeyUFMQRBSXYGCCMW-UHFFFAOYSA-N
XLogP0.37
TPSA102.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-cyanatophthalic acid
CID 139964459
N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61120396
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide
CID 104880346
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
N,2-dihydroxybenzamide;ethane
CID 91440405
(4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate
CID 21396971
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
[3-[4-(4-cyanatobenzoyl)benzoyl]phenyl] cyanate
CID 100938533
4-bromo-N-(2-cyano-1-methoxypropan-2-yl)-2-hydroxybenzamide
CID 75439807
4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide
CID 55210646

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate?
The IUPAC name of [3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate (CID 134488532) is [3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate.
What is the SMILES notation for [3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate?
The canonical SMILES for [3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate is N#COc1ccc(C(=O)NO)c(O)c1.
What is the InChIKey of [3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate?
The InChIKey is UFMQRBSXYGCCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c9-4-14-5-1-2-6(7(11)3-5)8(12)10-13/h1-3,11,13H,(H,10,12).
What are the key properties of [3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate?
[3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate has a molecular weight of 194.15 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate is sourced from PubChem (CID 134488532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).