N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide

C13H16N2O2 — CID 20763416

IUPACN'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide
SMILESC/C=C/C=C/COc1ccc(/N=C/NO)cc1
InChIInChI=1S/C13H16N2O2/c1-2-3-4-5-10-17-13-8-6-12(7-9-13)14-11-15-16/h2-9,11,16H,10H2,1H3,(H,14,15)/b3-2+,5-4+
InChIKeySGANCTWRCGUXFS-MQQKCMAXSA-N
MW232.28 g/mol
LogP2.84
Rot. Bonds6

About N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide

N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide (PubChem CID 20763416) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide
PubChem CID20763416
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide
SMILESC/C=C/C=C/COc1ccc(/N=C/NO)cc1
InChIInChI=1S/C13H16N2O2/c1-2-3-4-5-10-17-13-8-6-12(7-9-13)14-11-15-16/h2-9,11,16H,10H2,1H3,(H,14,15)/b3-2+,5-4+
InChIKeySGANCTWRCGUXFS-MQQKCMAXSA-N
XLogP2.84
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.84
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide?
The IUPAC name of N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide (CID 20763416) is N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide.
What is the SMILES notation for N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide?
The canonical SMILES for N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide is C/C=C/C=C/COc1ccc(/N=C/NO)cc1.
What is the InChIKey of N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide?
The InChIKey is SGANCTWRCGUXFS-MQQKCMAXSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-3-4-5-10-17-13-8-6-12(7-9-13)14-11-15-16/h2-9,11,16H,10H2,1H3,(H,14,15)/b3-2+,5-4+.
What are the key properties of N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide?
N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide has a molecular weight of 232.28 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide is sourced from PubChem (CID 20763416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).