benzene;N-phenylhydroxylamine

C12H13NO — CID 162151307

IUPACbenzene;N-phenylhydroxylamine
SMILESONc1ccccc1.c1ccccc1
InChIInChI=1S/C6H7NO.C6H6/c8-7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,7-8H;1-6H
InChIKeyZLGAKRUFBGMXHX-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.17
Rot. Bonds1

About benzene;N-phenylhydroxylamine

benzene;N-phenylhydroxylamine (PubChem CID 162151307) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is benzene;N-phenylhydroxylamine.

Molecular Properties

Compound Namebenzene;N-phenylhydroxylamine
PubChem CID162151307
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Namebenzene;N-phenylhydroxylamine
SMILESONc1ccccc1.c1ccccc1
InChIInChI=1S/C6H7NO.C6H6/c8-7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,7-8H;1-6H
InChIKeyZLGAKRUFBGMXHX-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;N-phenylhydroxylamine?
The IUPAC name of benzene;N-phenylhydroxylamine (CID 162151307) is benzene;N-phenylhydroxylamine.
What is the SMILES notation for benzene;N-phenylhydroxylamine?
The canonical SMILES for benzene;N-phenylhydroxylamine is ONc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;N-phenylhydroxylamine?
The InChIKey is ZLGAKRUFBGMXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C6H6/c8-7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,7-8H;1-6H.
What are the key properties of benzene;N-phenylhydroxylamine?
benzene;N-phenylhydroxylamine has a molecular weight of 187.24 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-phenylhydroxylamine is sourced from PubChem (CID 162151307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).