N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine

C12H12N2O — CID 158851058

IUPACN-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine
SMILESON=C1C=C/C(=N/c2ccccc2)CC1
InChIInChI=1S/C12H12N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-6,8,15H,7,9H2/b13-11-,14-12?
InChIKeyUKNDKFTUPPYHIY-CSXFVWEESA-N
MW200.24 g/mol
LogP2.94
Rot. Bonds1

About N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine

N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine (PubChem CID 158851058) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine
PubChem CID158851058
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine
SMILESON=C1C=C/C(=N/c2ccccc2)CC1
InChIInChI=1S/C12H12N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-6,8,15H,7,9H2/b13-11-,14-12?
InChIKeyUKNDKFTUPPYHIY-CSXFVWEESA-N
XLogP2.94
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine
CID 101088873
4-phenyliminocyclohexan-1-ol
CID 19962596
dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine
CID 140654299
3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine
CID 101056591
N-phenylcyclohexa-2,5-dien-1-imine
CID 53401250
(NZ)-N-cyclohex-2-en-1-ylidenehydroxylamine;hydrochloride
CID 88770127
4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine
CID 57029803
(NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine
CID 14973001
2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium
CID 57120772
1-N-methyl-4-N-[4-[(4-phenyliminocyclohexa-2,5-dien-1-ylidene)amino]phenyl]cyclohexa-2,5-diene-1,4-diimine
CID 20673086
N,1,4-triphenyl-1,2,4-triazinan-3-imine
CID 137242858
carbanide;bis(dichlorozirconium(2+));2-imidazolidine-1,3-diid-2-ylidene-1-N,3-N-diphenylcyclopentane-1,3-diimine
CID 59989888

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine?
The IUPAC name of N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine (CID 158851058) is N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine?
The canonical SMILES for N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine is ON=C1C=C/C(=N/c2ccccc2)CC1.
What is the InChIKey of N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine?
The InChIKey is UKNDKFTUPPYHIY-CSXFVWEESA-N. The full InChI is InChI=1S/C12H12N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-6,8,15H,7,9H2/b13-11-,14-12?.
What are the key properties of N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine?
N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine has a molecular weight of 200.24 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine is sourced from PubChem (CID 158851058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).