2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide

C10H12N4O3 — CID 142322523

IUPAC2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide
SMILES[H]/N=C(COc1c(C=O)cccc1OC)\N=N\N
InChIInChI=1S/C10H12N4O3/c1-16-8-4-2-3-7(5-15)10(8)17-6-9(11)13-14-12/h2-5H,6H2,1H3,(H3,11,12,13)
InChIKeyQYFSULZWXUPUSP-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.19
Rot. Bonds5

About 2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide

2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide (PubChem CID 142322523) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide.

Molecular Properties

Compound Name2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide
PubChem CID142322523
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide
SMILES[H]/N=C(COc1c(C=O)cccc1OC)\N=N\N
InChIInChI=1S/C10H12N4O3/c1-16-8-4-2-3-7(5-15)10(8)17-6-9(11)13-14-12/h2-5H,6H2,1H3,(H3,11,12,13)
InChIKeyQYFSULZWXUPUSP-UHFFFAOYSA-N
XLogP1.19
TPSA110.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-iminopropoxy)-3-methoxybenzaldehyde
CID 134433830
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde
CID 82850307
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
2-buta-2,3-dienoxy-3-methoxybenzaldehyde
CID 25034027
2-(2-aminoprop-2-enoxy)-3-methoxybenzaldehyde;2-methylbutanoic acid
CID 142322506
2-(2-formyl-6-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 61489932
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide?
The IUPAC name of 2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide (CID 142322523) is 2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide.
What is the SMILES notation for 2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide?
The canonical SMILES for 2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide is [H]/N=C(COc1c(C=O)cccc1OC)\N=N\N.
What is the InChIKey of 2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide?
The InChIKey is QYFSULZWXUPUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-16-8-4-2-3-7(5-15)10(8)17-6-9(11)13-14-12/h2-5H,6H2,1H3,(H3,11,12,13).
What are the key properties of 2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide?
2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide has a molecular weight of 236.23 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide is sourced from PubChem (CID 142322523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).