[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate

C18H14N2O5 — CID 5240816

IUPAC[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
SMILESCc1occc1C(=O)NN=Cc1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C18H14N2O5/c1-12-15(8-10-23-12)17(21)20-19-11-13-4-6-14(7-5-13)25-18(22)16-3-2-9-24-16/h2-11H,1H3,(H,20,21)
InChIKeyAQWSECCWQMHIOL-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.16
Rot. Bonds5

About [4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate

[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate (PubChem CID 5240816) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is [4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
PubChem CID5240816
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
SMILESCc1occc1C(=O)NN=Cc1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C18H14N2O5/c1-12-15(8-10-23-12)17(21)20-19-11-13-4-6-14(7-5-13)25-18(22)16-3-2-9-24-16/h2-11H,1H3,(H,20,21)
InChIKeyAQWSECCWQMHIOL-UHFFFAOYSA-N
XLogP3.16
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze [4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate with MolForge

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Related Compounds

[4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
CID 869858
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 6155557
[4-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 4675740
[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] 4-iodo-1-methylpyrazole-5-carboxylate
CID 3697968
[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-methyl-4-nitrobenzoate
CID 4252784
2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide
CID 5412695
[4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 19660610
(4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530481
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6880344
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136672376

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate?
The IUPAC name of [4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate (CID 5240816) is [4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is Cc1occc1C(=O)NN=Cc1ccc(OC(=O)c2ccco2)cc1.
What is the InChIKey of [4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate?
The InChIKey is AQWSECCWQMHIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-12-15(8-10-23-12)17(21)20-19-11-13-4-6-14(7-5-13)25-18(22)16-3-2-9-24-16/h2-11H,1H3,(H,20,21).
What are the key properties of [4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate?
[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate has a molecular weight of 338.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 5240816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).