(4-methanehydrazonoylphenyl) furan-2-carboxylate

C12H10N2O3 — CID 168530481

IUPAC(4-methanehydrazonoylphenyl) furan-2-carboxylate
SMILESNN=Cc1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C12H10N2O3/c13-14-8-9-3-5-10(6-4-9)17-12(15)11-2-1-7-16-11/h1-8H,13H2
InChIKeyRVLQDKHGDPEPCT-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.79
Rot. Bonds3

About (4-methanehydrazonoylphenyl) furan-2-carboxylate

(4-methanehydrazonoylphenyl) furan-2-carboxylate (PubChem CID 168530481) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is (4-methanehydrazonoylphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(4-methanehydrazonoylphenyl) furan-2-carboxylate
PubChem CID168530481
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name(4-methanehydrazonoylphenyl) furan-2-carboxylate
SMILESNN=Cc1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C12H10N2O3/c13-14-8-9-3-5-10(6-4-9)17-12(15)11-2-1-7-16-11/h1-8H,13H2
InChIKeyRVLQDKHGDPEPCT-UHFFFAOYSA-N
XLogP1.79
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.79
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
CID 869858
(2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530496
[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 6155557
(4-methanehydrazonoylphenyl) 2-chlorobenzoate
CID 168530478
[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 5240816
[4-[[4-(4-methylphenyl)-2-oxobutyl]iminomethyl]phenyl] furan-2-carboxylate
CID 58422780
[4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 19660610
[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 74170709
(4-propan-2-ylphenyl) furan-2-carboxylate
CID 723691
(4-methanehydrazonoylphenyl) 3-methylbenzoate
CID 168530479
[4-[2-(benzenesulfonyl)-2-cyanoethenyl]phenyl] furan-2-carboxylate
CID 2955588
[4-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 4675740

Frequently Asked Questions

What is the IUPAC name of (4-methanehydrazonoylphenyl) furan-2-carboxylate?
The IUPAC name of (4-methanehydrazonoylphenyl) furan-2-carboxylate (CID 168530481) is (4-methanehydrazonoylphenyl) furan-2-carboxylate.
What is the SMILES notation for (4-methanehydrazonoylphenyl) furan-2-carboxylate?
The canonical SMILES for (4-methanehydrazonoylphenyl) furan-2-carboxylate is NN=Cc1ccc(OC(=O)c2ccco2)cc1.
What is the InChIKey of (4-methanehydrazonoylphenyl) furan-2-carboxylate?
The InChIKey is RVLQDKHGDPEPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c13-14-8-9-3-5-10(6-4-9)17-12(15)11-2-1-7-16-11/h1-8H,13H2.
What are the key properties of (4-methanehydrazonoylphenyl) furan-2-carboxylate?
(4-methanehydrazonoylphenyl) furan-2-carboxylate has a molecular weight of 230.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methanehydrazonoylphenyl) furan-2-carboxylate is sourced from PubChem (CID 168530481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).