[4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate

C14H12N2O5 — CID 6187258

IUPAC[4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
SMILESCOC(=O)N/N=C\c1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C14H12N2O5/c1-19-14(18)16-15-9-10-4-6-11(7-5-10)21-13(17)12-3-2-8-20-12/h2-9H,1H3,(H,16,18)/b15-9-
InChIKeyCGTFXNBFQHOWCW-DHDCSXOGSA-N
MW288.26 g/mol
LogP2.19
Rot. Bonds4

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

[4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate (PubChem CID 6187258) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is [4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
PubChem CID6187258
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name[4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
SMILESCOC(=O)N/N=C\c1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C14H12N2O5/c1-19-14(18)16-15-9-10-4-6-11(7-5-10)21-13(17)12-3-2-8-20-12/h2-9H,1H3,(H,16,18)/b15-9-
InChIKeyCGTFXNBFQHOWCW-DHDCSXOGSA-N
XLogP2.19
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.19
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'}

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Related Compounds

methyl 5-({4-[(E)-(hydroxyimino)methyl]phenoxy}methyl)furan-2-carboxylate
CID 5732698
methyl 5-[[(E)-(4-methoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate
CID 5979100
methyl 5-[[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate
CID 6877972
methyl 5-({2-[(E)-(2-carbamoylhydrazinylidene)methyl]phenoxy}methyl)furan-2-carboxylate
CID 6880312
Furan-2-carboxylic acid 2-methoxy-4-(methoxycarbonyl-hydrazonomethyl)-phenyl ester
CID 6882950
(E)-3-Furan-2-yl-acrylic acid 4-(methoxycarbonyl-hydrazonomethyl)-phenyl ester
CID 6883314
[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 6893468
p-Tolyloxy-acetic acid (3-furan-2-yl-allylidene)-hydrazide
CID 2246502
N'-(2-furylmethylene)-2-(4-methylphenoxy)acetohydrazide
CID 5722058
tert-butyl (2Z)-2-[4-(2-furoyloxy)benzylidene]hydrazinecarboxylate
CID 5779112
ethyl (2Z)-2-[4-(2-furoyloxy)benzylidene]hydrazinecarboxylate
CID 6265173
N'-(Furan-2-ylmethylene)-2-(o-tolyloxy)acetohydrazide
CID 6869275

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The IUPAC name of [4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate (CID 6187258) is [4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is COC(=O)N/N=C\c1ccc(OC(=O)c2ccco2)cc1.
What is the InChIKey of [4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The InChIKey is CGTFXNBFQHOWCW-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-19-14(18)16-15-9-10-4-6-11(7-5-10)21-13(17)12-3-2-8-20-12/h2-9H,1H3,(H,16,18)/b15-9-.
What are the key properties of [4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
[4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate has a molecular weight of 288.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 6187258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).