phenylperoxymethanamine

C7H9NO2 — CID 163956445

IUPACphenylperoxymethanamine
SMILESNCOOc1ccccc1
InChIInChI=1S/C7H9NO2/c8-6-9-10-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKeySDTVUAZLWSJUBV-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.91
Rot. Bonds3

About phenylperoxymethanamine

phenylperoxymethanamine (PubChem CID 163956445) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is phenylperoxymethanamine.

Molecular Properties

Compound Namephenylperoxymethanamine
PubChem CID163956445
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Namephenylperoxymethanamine
SMILESNCOOc1ccccc1
InChIInChI=1S/C7H9NO2/c8-6-9-10-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKeySDTVUAZLWSJUBV-UHFFFAOYSA-N
XLogP0.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propylperoxybenzene
CID 87444466
methoxymethylperoxybenzene
CID 89305996
azane;phenylperoxybenzene
CID 174490395
phenoxy hypochlorite
CID 18939078
O-phenoxyhydroxylamine
CID 20645120
potassium;hydride;phenylperoxybenzene
CID 174274599
phenyl hypochlorite;titanium
CID 87675742
3-phenylperoxypropylbenzene
CID 88815818
but-2-enylperoxybenzene
CID 159061955
3-phenylperoxypropane-1,2-diol
CID 175055496
S-phenylperoxythiohydroxylamine
CID 58723108
phenoxy hypofluorite;hydrochloride
CID 161041711

Frequently Asked Questions

What is the IUPAC name of phenylperoxymethanamine?
The IUPAC name of phenylperoxymethanamine (CID 163956445) is phenylperoxymethanamine.
What is the SMILES notation for phenylperoxymethanamine?
The canonical SMILES for phenylperoxymethanamine is NCOOc1ccccc1.
What is the InChIKey of phenylperoxymethanamine?
The InChIKey is SDTVUAZLWSJUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c8-6-9-10-7-4-2-1-3-5-7/h1-5H,6,8H2.
What are the key properties of phenylperoxymethanamine?
phenylperoxymethanamine has a molecular weight of 139.15 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenylperoxymethanamine is sourced from PubChem (CID 163956445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).