methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate

C10H12N2O4 — CID 22942974

IUPACmethyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate
SMILESCOC(=O)C(=O)NNc1ccccc1OC
InChIInChI=1S/C10H12N2O4/c1-15-8-6-4-3-5-7(8)11-12-9(13)10(14)16-2/h3-6,11H,1-2H3,(H,12,13)
InChIKeyNIINRGFSGIQKSP-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.31
Rot. Bonds3

About methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate

methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate (PubChem CID 22942974) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate
PubChem CID22942974
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate
SMILESCOC(=O)C(=O)NNc1ccccc1OC
InChIInChI=1S/C10H12N2O4/c1-15-8-6-4-3-5-7(8)11-12-9(13)10(14)16-2/h3-6,11H,1-2H3,(H,12,13)
InChIKeyNIINRGFSGIQKSP-UHFFFAOYSA-N
XLogP0.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methoxyphenyl)propanehydrazide
CID 606591
1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide
CID 138620035
3,5-dichloro-N'-(2-methoxyphenyl)benzohydrazide
CID 20661682
ethane;(2-methoxyphenyl)urea
CID 143063924
1-chloro-2-(2-methoxyphenyl)hydrazine;sulfuric acid
CID 175005689
propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
CID 22287395
(2-methoxyanilino)-methylcarbamic acid
CID 163632659
methyl 2-(2-methoxyphenyl)buta-2,3-dienoate
CID 102231144
N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide
CID 20678328

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate?
The IUPAC name of methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate (CID 22942974) is methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate?
The canonical SMILES for methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate is COC(=O)C(=O)NNc1ccccc1OC.
What is the InChIKey of methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate?
The InChIKey is NIINRGFSGIQKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-15-8-6-4-3-5-7(8)11-12-9(13)10(14)16-2/h3-6,11H,1-2H3,(H,12,13).
What are the key properties of methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate?
methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate has a molecular weight of 224.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate is sourced from PubChem (CID 22942974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).