N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine

C13H13NO — CID 142912112

IUPACN-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine
SMILESON(C1=CC=CCC=C1)c1ccccc1
InChIInChI=1S/C13H13NO/c15-14(13-10-6-3-7-11-13)12-8-4-1-2-5-9-12/h1,3-11,15H,2H2
InChIKeyJTZCGWRNXBQXNH-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.28
Rot. Bonds2

About N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine

N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine (PubChem CID 142912112) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine.

Molecular Properties

Compound NameN-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine
PubChem CID142912112
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine
SMILESON(C1=CC=CCC=C1)c1ccccc1
InChIInChI=1S/C13H13NO/c15-14(13-10-6-3-7-11-13)12-8-4-1-2-5-9-12/h1,3-11,15H,2H2
InChIKeyJTZCGWRNXBQXNH-UHFFFAOYSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
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 N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine?
The IUPAC name of N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine (CID 142912112) is N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine.
What is the SMILES notation for N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine?
The canonical SMILES for N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine is ON(C1=CC=CCC=C1)c1ccccc1.
What is the InChIKey of N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine?
The InChIKey is JTZCGWRNXBQXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-14(13-10-6-3-7-11-13)12-8-4-1-2-5-9-12/h1,3-11,15H,2H2.
What are the key properties of N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine?
N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine has a molecular weight of 199.25 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine is sourced from PubChem (CID 142912112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).