N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide

C16H13NO5 — CID 21141176

IUPACN-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide
SMILESO=C1Oc2ccccc2CC1C(=O)c1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C16H13NO5/c18-15(10-5-7-12(8-6-10)17(20)21)13-9-11-3-1-2-4-14(11)22-16(13)19/h1-8,13,17,20H,9H2
InChIKeyDVACHMGSBGMLEI-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.05
Rot. Bonds3

About N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide

N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide (PubChem CID 21141176) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide
PubChem CID21141176
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC NameN-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide
SMILESO=C1Oc2ccccc2CC1C(=O)c1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C16H13NO5/c18-15(10-5-7-12(8-6-10)17(20)21)13-9-11-3-1-2-4-14(11)22-16(13)19/h1-8,13,17,20H,9H2
InChIKeyDVACHMGSBGMLEI-UHFFFAOYSA-N
XLogP1.05
TPSA91.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-3,4-dihydrochromen-2-one
CID 15418519
3-benzoyl-6-phenyl-3,4-dihydrochromen-2-one
CID 58459923
3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
CID 69198622
2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane
CID 123143178
2-[4-(trifluoromethyl)benzoyl]-1,2-dihydrobenzo[f]chromen-3-one
CID 42637493
3-(nitromethyl)-3,4-dihydrochromen-2-one
CID 101202113
3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one
CID 160784007
3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one
CID 162711473
(3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one
CID 14941867
N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide
CID 163148036
(4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66395209
3-benzoyl-3H-1-benzofuran-2-one
CID 70129495

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide?
The IUPAC name of N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide (CID 21141176) is N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide.
What is the SMILES notation for N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide?
The canonical SMILES for N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide is O=C1Oc2ccccc2CC1C(=O)c1ccc([NH+]([O-])O)cc1.
What is the InChIKey of N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide?
The InChIKey is DVACHMGSBGMLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c18-15(10-5-7-12(8-6-10)17(20)21)13-9-11-3-1-2-4-14(11)22-16(13)19/h1-8,13,17,20H,9H2.
What are the key properties of N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide?
N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide has a molecular weight of 299.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide is sourced from PubChem (CID 21141176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).