N'-(4-cyanophenyl)-N-hydroxymethanimidamide

C8H7N3O — CID 20763402

IUPACN'-(4-cyanophenyl)-N-hydroxymethanimidamide
SMILESN#Cc1ccc(/N=C/NO)cc1
InChIInChI=1S/C8H7N3O/c9-5-7-1-3-8(4-2-7)10-6-11-12/h1-4,6,12H,(H,10,11)
InChIKeyNHLQHRNBGKZGKR-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.20
Rot. Bonds2

About N'-(4-cyanophenyl)-N-hydroxymethanimidamide

N'-(4-cyanophenyl)-N-hydroxymethanimidamide (PubChem CID 20763402) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is N'-(4-cyanophenyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)-N-hydroxymethanimidamide
PubChem CID20763402
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC NameN'-(4-cyanophenyl)-N-hydroxymethanimidamide
SMILESN#Cc1ccc(/N=C/NO)cc1
InChIInChI=1S/C8H7N3O/c9-5-7-1-3-8(4-2-7)10-6-11-12/h1-4,6,12H,(H,10,11)
InChIKeyNHLQHRNBGKZGKR-UHFFFAOYSA-N
XLogP1.20
TPSA68.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminoprop-2-enylideneamino)benzonitrile
CID 163755854
azane;benzene-1,4-dicarbonitrile
CID 174336566
N'-[3-bromo-5-(4-cyanophenyl)-6-(4-methylphenyl)-2-pyridinyl]-N-hydroxymethanimidamide
CID 131745299
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-(ethenylamino)benzonitrile
CID 89387089
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 135657361
4-[(4-ethylphenyl)iminomethyl]benzonitrile
CID 23167748
N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide
CID 20763545
4-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]benzonitrile
CID 71626902
N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide
CID 932395
4-hydroxybenzonitrile
CID 53435365
N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126494635

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(4-cyanophenyl)-N-hydroxymethanimidamide (CID 20763402) is N'-(4-cyanophenyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(4-cyanophenyl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(4-cyanophenyl)-N-hydroxymethanimidamide is N#Cc1ccc(/N=C/NO)cc1.
What is the InChIKey of N'-(4-cyanophenyl)-N-hydroxymethanimidamide?
The InChIKey is NHLQHRNBGKZGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-5-7-1-3-8(4-2-7)10-6-11-12/h1-4,6,12H,(H,10,11).
What are the key properties of N'-(4-cyanophenyl)-N-hydroxymethanimidamide?
N'-(4-cyanophenyl)-N-hydroxymethanimidamide has a molecular weight of 161.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 20763402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).