[4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate

C13H11N3O4 — CID 869858

IUPAC[4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
SMILESNC(=O)NN=Cc1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C13H11N3O4/c14-13(18)16-15-8-9-3-5-10(6-4-9)20-12(17)11-2-1-7-19-11/h1-8H,(H3,14,16,18)
InChIKeyHDBMZKWOPWAKDV-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.50
Rot. Bonds4

About [4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate

[4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate (PubChem CID 869858) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is [4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
PubChem CID869858
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name[4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
SMILESNC(=O)NN=Cc1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C13H11N3O4/c14-13(18)16-15-8-9-3-5-10(6-4-9)20-12(17)11-2-1-7-19-11/h1-8H,(H3,14,16,18)
InChIKeyHDBMZKWOPWAKDV-UHFFFAOYSA-N
XLogP1.50
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530481
[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 6155557
[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 5240816
[4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 19660610
[4-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 4675740
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate
CID 6024810
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
CID 6022391
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 5416155
[4-[[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 2013433
[(E)-[4-(4-phenoxyphenoxy)phenyl]methylideneamino]urea
CID 10593753
[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 74170709
[4-[(E)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 110341117

Frequently Asked Questions

What is the IUPAC name of [4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The IUPAC name of [4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate (CID 869858) is [4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is NC(=O)NN=Cc1ccc(OC(=O)c2ccco2)cc1.
What is the InChIKey of [4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The InChIKey is HDBMZKWOPWAKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c14-13(18)16-15-8-9-3-5-10(6-4-9)20-12(17)11-2-1-7-19-11/h1-8H,(H3,14,16,18).
What are the key properties of [4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
[4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate has a molecular weight of 273.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 869858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).