4-(hydroperoxyamino)benzaldehyde

C7H7NO3 — CID 20722953

IUPAC4-(hydroperoxyamino)benzaldehyde
SMILESO=Cc1ccc(NOO)cc1
InChIInChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8-11-10/h1-5,8,10H
InChIKeyMFUBVNCRMNMLTF-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.32
Rot. Bonds3

About 4-(hydroperoxyamino)benzaldehyde

4-(hydroperoxyamino)benzaldehyde (PubChem CID 20722953) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-(hydroperoxyamino)benzaldehyde.

Molecular Properties

Compound Name4-(hydroperoxyamino)benzaldehyde
PubChem CID20722953
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name4-(hydroperoxyamino)benzaldehyde
SMILESO=Cc1ccc(NOO)cc1
InChIInChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8-11-10/h1-5,8,10H
InChIKeyMFUBVNCRMNMLTF-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-(4-formylphenyl)formamide
CID 15314216
N-(4-formylphenyl)-2-methoxy-2-methylpropanamide
CID 106912194
ethane;4-(methylamino)benzaldehyde
CID 90757327
4-[[hydroxy(methoxy)methyl]amino]benzaldehyde
CID 145005218
benzene;terephthalaldehyde
CID 163498156
2-(4-formylanilino)acetic acid
CID 21163243
4-(2,2-dihydroxyethylamino)benzaldehyde
CID 141051359
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
methanol;4-(methylamino)benzaldehyde;prop-2-enal
CID 153387610
methylamino 4-formylbenzoate
CID 166845078
methyl 3-(4-formylanilino)propanoate
CID 21163305
CID 141437323
CID 141437323

Frequently Asked Questions

What is the IUPAC name of 4-(hydroperoxyamino)benzaldehyde?
The IUPAC name of 4-(hydroperoxyamino)benzaldehyde (CID 20722953) is 4-(hydroperoxyamino)benzaldehyde.
What is the SMILES notation for 4-(hydroperoxyamino)benzaldehyde?
The canonical SMILES for 4-(hydroperoxyamino)benzaldehyde is O=Cc1ccc(NOO)cc1.
What is the InChIKey of 4-(hydroperoxyamino)benzaldehyde?
The InChIKey is MFUBVNCRMNMLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8-11-10/h1-5,8,10H.
What are the key properties of 4-(hydroperoxyamino)benzaldehyde?
4-(hydroperoxyamino)benzaldehyde has a molecular weight of 153.14 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroperoxyamino)benzaldehyde is sourced from PubChem (CID 20722953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).