cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine

C6H9NO5 — CID 91339514

IUPACcyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine
SMILESO=C(O)C1=CC=CC1.ONOO
InChIInChI=1S/C6H6O2.H3NO3/c7-6(8)5-3-1-2-4-5;2-1-4-3/h1-3H,4H2,(H,7,8);1-3H
InChIKeyJIOBXYHGYUHXHW-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.33
Rot. Bonds2

About cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine

cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine (PubChem CID 91339514) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine.

Molecular Properties

Compound Namecyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine
PubChem CID91339514
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Namecyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine
SMILESO=C(O)C1=CC=CC1.ONOO
InChIInChI=1S/C6H6O2.H3NO3/c7-6(8)5-3-1-2-4-5;2-1-4-3/h1-3H,4H2,(H,7,8);1-3H
InChIKeyJIOBXYHGYUHXHW-UHFFFAOYSA-N
XLogP0.33
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
CID 123601552
cyclohepta-1,3,5-triene-1,3-dicarboxylic acid
CID 174365369
2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid
CID 517151
2,3-di(cyclopenta-1,3-dien-1-yl)but-2-enoic acid
CID 54527252
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931
1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one
CID 12861283
3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid
CID 59440444
cyclohexa-1,3-diene-1-carboxylic acid;iron;hydrochloride
CID 67301539
N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide
CID 22887606
4-carboxyoxycyclohepta-1,3,5-triene-1-carboxylic acid
CID 143286491
methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate
CID 141293142
1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone
CID 15514432

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine?
The IUPAC name of cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine (CID 91339514) is cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine.
What is the SMILES notation for cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine?
The canonical SMILES for cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine is O=C(O)C1=CC=CC1.ONOO.
What is the InChIKey of cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine?
The InChIKey is JIOBXYHGYUHXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.H3NO3/c7-6(8)5-3-1-2-4-5;2-1-4-3/h1-3H,4H2,(H,7,8);1-3H.
What are the key properties of cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine?
cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine has a molecular weight of 175.14 g/mol, XLogP of 0.33, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine is sourced from PubChem (CID 91339514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).