N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide

C15H12N2O3 — CID 163155804

IUPACN-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide
SMILESO=C1Nc2ccccc2C1=Cc1ccccc1[NH+]([O-])O
InChIInChI=1S/C15H12N2O3/c18-15-12(11-6-2-3-7-13(11)16-15)9-10-5-1-4-8-14(10)17(19)20/h1-9,17,19H,(H,16,18)
InChIKeyPBBXPWXIOXMSDD-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.58
Rot. Bonds2

About N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide

N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide (PubChem CID 163155804) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide
PubChem CID163155804
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC NameN-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide
SMILESO=C1Nc2ccccc2C1=Cc1ccccc1[NH+]([O-])O
InChIInChI=1S/C15H12N2O3/c18-15-12(11-6-2-3-7-13(11)16-15)9-10-5-1-4-8-14(10)17(19)20/h1-9,17,19H,(H,16,18)
InChIKeyPBBXPWXIOXMSDD-UHFFFAOYSA-N
XLogP1.58
TPSA76.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
CID 47102912
3-(azulen-1-ylmethylidene)-1H-indol-2-one
CID 57390079
CID 57369962
CID 57369962
3-(1H-indol-4-ylmethylidene)-1H-indol-2-one
CID 69453304
(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 2345191
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858
(3Z)-3-phenacylidene-1H-indol-2-one
CID 682362
(3E)-3-(3-methylbutylidene)-1H-indol-2-one
CID 6989941
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one
CID 6363126
(3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one
CID 2360379

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide?
The IUPAC name of N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide (CID 163155804) is N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide.
What is the SMILES notation for N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide?
The canonical SMILES for N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide is O=C1Nc2ccccc2C1=Cc1ccccc1[NH+]([O-])O.
What is the InChIKey of N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide?
The InChIKey is PBBXPWXIOXMSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15-12(11-6-2-3-7-13(11)16-15)9-10-5-1-4-8-14(10)17(19)20/h1-9,17,19H,(H,16,18).
What are the key properties of N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide?
N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide has a molecular weight of 268.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide is sourced from PubChem (CID 163155804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).