[(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium

C11H13N4O+ — CID 156642078

IUPAC[(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium
SMILESN#Cc1ccc(COC/C(C=[NH2+])=N/N)cc1
InChIInChI=1S/C11H12N4O/c12-5-9-1-3-10(4-2-9)7-16-8-11(6-13)15-14/h1-4,6,13H,7-8,14H2/p+1/b13-6?,15-11+
InChIKeyNVKUSROOVQRYRD-FTFAXYLHSA-O
MW217.25 g/mol
LogP-0.78
Rot. Bonds5

About [(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium

[(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium (PubChem CID 156642078) has the molecular formula C11H13N4O+ and a molecular weight of 217.25 g/mol. Its IUPAC name is [(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium.

Molecular Properties

Compound Name[(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium
PubChem CID156642078
Molecular FormulaC11H13N4O+
Molecular Weight217.25 g/mol
Exact Mass217.11
IUPAC Name[(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium
SMILESN#Cc1ccc(COC/C(C=[NH2+])=N/N)cc1
InChIInChI=1S/C11H12N4O/c12-5-9-1-3-10(4-2-9)7-16-8-11(6-13)15-14/h1-4,6,13H,7-8,14H2/p+1/b13-6?,15-11+
InChIKeyNVKUSROOVQRYRD-FTFAXYLHSA-O
XLogP-0.78
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 142506335
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4-[2-[(4-chlorophenyl)methoxy]acetyl]benzonitrile
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4-(cyclopentylmethoxymethyl)benzonitrile
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4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide
CID 134035388
(4-cyanophenyl)methyl formate
CID 18398424
4-[2-(2-methoxyethoxy)ethoxymethyl]benzonitrile
CID 104561665
(4-methylphenyl)methyl (2S)-2-(4-cyanophenoxy)propanoate
CID 7978180
4-[2-[2-[[4-(methyldiazenyl)phenyl]methoxy]ethoxy]ethoxymethyl]benzonitrile
CID 123404550
(4-cyanophenyl)methoxy-hydroxy-oxophosphanium
CID 67743268
4-(3,3-dimethylbutoxymethyl)benzonitrile
CID 66232713

Frequently Asked Questions

What is the IUPAC name of [(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium?
The IUPAC name of [(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium (CID 156642078) is [(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium.
What is the SMILES notation for [(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium?
The canonical SMILES for [(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium is N#Cc1ccc(COC/C(C=[NH2+])=N/N)cc1.
What is the InChIKey of [(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium?
The InChIKey is NVKUSROOVQRYRD-FTFAXYLHSA-O. The full InChI is InChI=1S/C11H12N4O/c12-5-9-1-3-10(4-2-9)7-16-8-11(6-13)15-14/h1-4,6,13H,7-8,14H2/p+1/b13-6?,15-11+.
What are the key properties of [(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium?
[(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium has a molecular weight of 217.25 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3-[(4-cyanophenyl)methoxy]-2-hydrazinylidenepropylidene]azanium is sourced from PubChem (CID 156642078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).