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'}

Analyze N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,5-N-di(cyclohepta-1,3,6-trien-1-yl)-2,4,6-triethyl-1-N,3-N,3-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 129146041
(1E,6Z)-1-N-cyclohepta-1,3,6-trien-1-yl-1-N,5-N,5-N-triphenylocta-1,3,6-triene-1,5-diamine
CID 142961369
N-[4-[4-[4-[cyclohepta-1,3,6-trien-1-yl(cyclohepta-1,4,6-trien-1-yl)amino]phenyl]phenyl]phenyl]-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 143144037
N-cyclohepta-1,3,6-trien-1-yl-N,9-diphenyl-6-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 146625646
3-(1-phenylethyl)cyclohepta-1,3,5-triene
CID 123815989
3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene
CID 91047474
cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane
CID 144923038
cyclohepta-1,3,6-trien-1-yl-dimethyl-phenylazanium
CID 90938590
N,N-diphenylhydroxylamine;phosphoric acid
CID 175346911
bis(cyclopenta-1,3-diene);diphenylphosphane
CID 175484200
3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene
CID 134407070
9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 143043863

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).