4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol

C9H10N2O3 — CID 135494041

IUPAC4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol
SMILESCC(=NO)C(=NO)c1ccc(O)cc1
InChIInChI=1S/C9H10N2O3/c1-6(10-13)9(11-14)7-2-4-8(12)5-3-7/h2-5,12-14H,1H3
InChIKeyVKQARVDMEPJTLO-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.42
Rot. Bonds2

About 4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol

4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol (PubChem CID 135494041) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol
PubChem CID135494041
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol
SMILESCC(=NO)C(=NO)c1ccc(O)cc1
InChIInChI=1S/C9H10N2O3/c1-6(10-13)9(11-14)7-2-4-8(12)5-3-7/h2-5,12-14H,1H3
InChIKeyVKQARVDMEPJTLO-UHFFFAOYSA-N
XLogP1.42
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine
CID 135574535
(NE)-N-[(1E)-1-(4-butan-2-ylphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
CID 166591693
(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide
CID 174456156
4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 135490404
(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
CID 135597868
4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 135629232
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 177490589
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide
CID 4071161
4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol
CID 71251039
4-(2-hydroxyiminopropyl)phenol
CID 572036

Frequently Asked Questions

What is the IUPAC name of 4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol?
The IUPAC name of 4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol (CID 135494041) is 4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol.
What is the SMILES notation for 4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol?
The canonical SMILES for 4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol is CC(=NO)C(=NO)c1ccc(O)cc1.
What is the InChIKey of 4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol?
The InChIKey is VKQARVDMEPJTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6(10-13)9(11-14)7-2-4-8(12)5-3-7/h2-5,12-14H,1H3.
What are the key properties of 4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol?
4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol has a molecular weight of 194.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol is sourced from PubChem (CID 135494041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).