methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate

C15H16N4O4 — CID 141475171

IUPACmethyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate
SMILESCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)NN)o2)cc1C
InChIInChI=1S/C15H16N4O4/c1-9-7-10(3-5-12(9)14(20)22-2)13-6-4-11(23-13)8-17-19-15(21)18-16/h3-8H,16H2,1-2H3,(H2,18,19,21)/b17-8+
InChIKeyTXUFRXDXCXSULA-CAOOACKPSA-N
MW316.32 g/mol
LogP1.55
Rot. Bonds4

About methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate

methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate (PubChem CID 141475171) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate
PubChem CID141475171
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Namemethyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate
SMILESCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)NN)o2)cc1C
InChIInChI=1S/C15H16N4O4/c1-9-7-10(3-5-12(9)14(20)22-2)13-6-4-11(23-13)8-17-19-15(21)18-16/h3-8H,16H2,1-2H3,(H2,18,19,21)/b17-8+
InChIKeyTXUFRXDXCXSULA-CAOOACKPSA-N
XLogP1.55
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 175005479
4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide
CID 141475173
methyl 2-chloro-4-[5-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 5430133
methyl 3-[5-[(Z)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6255875
methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 5457786
ethyl 4-[5-[(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 840770
5-[5-[[(2-methoxyphenyl)carbamoylhydrazinylidene]methyl]furan-2-yl]-2-methylbenzoic acid
CID 3267718
methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6888698
ethyl 4-[5-[[(2,4-dimethoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 4554513
2-chloro-4-[5-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3269130
methyl 2-[5-[(Z)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-4-chlorobenzoate
CID 5427183
ethyl 4-[5-[(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 57360938

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate?
The IUPAC name of methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate (CID 141475171) is methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate.
What is the SMILES notation for methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate?
The canonical SMILES for methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate is COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)NN)o2)cc1C.
What is the InChIKey of methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate?
The InChIKey is TXUFRXDXCXSULA-CAOOACKPSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-9-7-10(3-5-12(9)14(20)22-2)13-6-4-11(23-13)8-17-19-15(21)18-16/h3-8H,16H2,1-2H3,(H2,18,19,21)/b17-8+.
What are the key properties of methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate?
methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate has a molecular weight of 316.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate is sourced from PubChem (CID 141475171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).