N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine

C14H12N2O2 — CID 173337489

IUPACN-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine
SMILESO=NC=c1ccccc1=CN(O)c1ccccc1
InChIInChI=1S/C14H12N2O2/c17-15-10-12-6-4-5-7-13(12)11-16(18)14-8-2-1-3-9-14/h1-11,18H
InChIKeyVLGQFRMODHWYHG-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.82
Rot. Bonds3

About N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine

N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine (PubChem CID 173337489) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine.

Molecular Properties

Compound NameN-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine
PubChem CID173337489
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC NameN-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine
SMILESO=NC=c1ccccc1=CN(O)c1ccccc1
InChIInChI=1S/C14H12N2O2/c17-15-10-12-6-4-5-7-13(12)11-16(18)14-8-2-1-3-9-14/h1-11,18H
InChIKeyVLGQFRMODHWYHG-UHFFFAOYSA-N
XLogP1.82
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
CID 5368324
(4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one
CID 88775232
N,N-diphenylhydroxylamine;phosphoric acid
CID 175346911
N-amino-N-phenylnitrous amide;azane
CID 174470664
N,N-dimethylaniline;methanol
CID 143205399
N-hydroxy-N-phenylprop-2-enamide
CID 11367183
formic acid;methyl(phenyl)carbamic acid
CID 161284118
(Z)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)prop-2-en-1-one
CID 10264418
(E)-but-2-enedioic acid;N,N-diphenylaniline
CID 139301590
manganese(2+);bis(N-oxido-N-phenylnitrous amide)
CID 131874368
N,N-diethyl-3-(N-phenylanilino)propanamide
CID 3040700
(2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium
CID 10773517

Frequently Asked Questions

What is the IUPAC name of N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine?
The IUPAC name of N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine (CID 173337489) is N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine.
What is the SMILES notation for N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine?
The canonical SMILES for N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine is O=NC=c1ccccc1=CN(O)c1ccccc1.
What is the InChIKey of N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine?
The InChIKey is VLGQFRMODHWYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-15-10-12-6-4-5-7-13(12)11-16(18)14-8-2-1-3-9-14/h1-11,18H.
What are the key properties of N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine?
N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine has a molecular weight of 240.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine is sourced from PubChem (CID 173337489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).