methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate

C11H14N2O3 — CID 101474748

IUPACmethyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)/C(Cc1ccc(OC)cc1)=N\N
InChIInChI=1S/C11H14N2O3/c1-15-9-5-3-8(4-6-9)7-10(13-12)11(14)16-2/h3-6H,7,12H2,1-2H3/b13-10-
InChIKeyKCTYEBCWYLCFTK-RAXLEYEMSA-N
MW222.24 g/mol
LogP0.73
Rot. Bonds4

About methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate

methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate (PubChem CID 101474748) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate
PubChem CID101474748
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)/C(Cc1ccc(OC)cc1)=N\N
InChIInChI=1S/C11H14N2O3/c1-15-9-5-3-8(4-6-9)7-10(13-12)11(14)16-2/h3-6H,7,12H2,1-2H3/b13-10-
InChIKeyKCTYEBCWYLCFTK-RAXLEYEMSA-N
XLogP0.73
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one
CID 162405653
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
N-(2-amino-2-oxoethyl)sulfonyl-2-(4-methoxyphenyl)acetamide
CID 166210769
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
1-bromo-3-(4-methoxyphenyl)propan-2-one
CID 15325008
N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide
CID 9120892
[(E)-1-(4-methoxyphenyl)butan-2-ylideneamino]urea
CID 121013499
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
methyl 2-[4-(4-methoxyanilino)phenyl]acetate
CID 82535736

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate (CID 101474748) is methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate is COC(=O)/C(Cc1ccc(OC)cc1)=N\N.
What is the InChIKey of methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate?
The InChIKey is KCTYEBCWYLCFTK-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-9-5-3-8(4-6-9)7-10(13-12)11(14)16-2/h3-6H,7,12H2,1-2H3/b13-10-.
What are the key properties of methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate?
methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate has a molecular weight of 222.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 101474748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).