3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate

C17H17N2O5- — CID 7066821

IUPAC3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCOc1ccc(/C=N\Nc2cccc(C(=O)[O-])c2)c(OC)c1OC
InChIInChI=1S/C17H18N2O5/c1-22-14-8-7-12(15(23-2)16(14)24-3)10-18-19-13-6-4-5-11(9-13)17(20)21/h4-10,19H,1-3H3,(H,20,21)/p-1/b18-10-
InChIKeyZIJIELBBULCVKU-ZDLGFXPLSA-M
MW329.33 g/mol
LogP1.52
Rot. Bonds7

About 3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate

3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate (PubChem CID 7066821) has the molecular formula C17H17N2O5- and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
PubChem CID7066821
Molecular FormulaC17H17N2O5-
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCOc1ccc(/C=N\Nc2cccc(C(=O)[O-])c2)c(OC)c1OC
InChIInChI=1S/C17H18N2O5/c1-22-14-8-7-12(15(23-2)16(14)24-3)10-18-19-13-6-4-5-11(9-13)17(20)21/h4-10,19H,1-3H3,(H,20,21)/p-1/b18-10-
InChIKeyZIJIELBBULCVKU-ZDLGFXPLSA-M
XLogP1.52
TPSA92.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7416481
3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7992359
3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841501
3-[(2Z)-2-[[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]methylidene]hydrazinyl]benzoate
CID 7786687
3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate
CID 7065216
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 110504916
N-[(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841727
2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 9466478
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate
CID 7529688
3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide
CID 6008336

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate (CID 7066821) is 3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate is COc1ccc(/C=N\Nc2cccc(C(=O)[O-])c2)c(OC)c1OC.
What is the InChIKey of 3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate?
The InChIKey is ZIJIELBBULCVKU-ZDLGFXPLSA-M. The full InChI is InChI=1S/C17H18N2O5/c1-22-14-8-7-12(15(23-2)16(14)24-3)10-18-19-13-6-4-5-11(9-13)17(20)21/h4-10,19H,1-3H3,(H,20,21)/p-1/b18-10-.
What are the key properties of 3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate?
3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate has a molecular weight of 329.33 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7066821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).