[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate

C14H13N3O5 — CID 6893468

IUPAC[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate
SMILESCOc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccco1
InChIInChI=1S/C14H13N3O5/c1-20-12-7-9(8-16-17-14(15)19)4-5-10(12)22-13(18)11-3-2-6-21-11/h2-8H,1H3,(H3,15,17,19)/b16-8+
InChIKeyTYSIKHZMYLVIHZ-LZYBPNLTSA-N
MW303.27 g/mol
LogP1.51
Rot. Bonds5

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

[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate (PubChem CID 6893468) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is [4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate
PubChem CID6893468
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate
SMILESCOc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccco1
InChIInChI=1S/C14H13N3O5/c1-20-12-7-9(8-16-17-14(15)19)4-5-10(12)22-13(18)11-3-2-6-21-11/h2-8H,1H3,(H3,15,17,19)/b16-8+
InChIKeyTYSIKHZMYLVIHZ-LZYBPNLTSA-N
XLogP1.51
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
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)-(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
methyl 5-({4-[(E)-(hydroxyimino)methyl]-2-methoxyphenoxy}methyl)furan-2-carboxylate
CID 6883519
tert-butyl (2Z)-2-[4-(2-furoyloxy)benzylidene]hydrazinecarboxylate
CID 5779112
ethyl (2Z)-2-[4-(2-furoyloxy)benzylidene]hydrazinecarboxylate
CID 6265173
[4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 9619583
tert-butyl (2Z)-2-[4-(2-furoyloxy)-3-methoxybenzylidene]hydrazinecarboxylate
CID 5699057
tert-butyl (2Z)-2-[3-ethoxy-4-(2-furoyloxy)benzylidene]hydrazinecarboxylate
CID 5906935
methyl (2Z)-2-[3-ethoxy-4-(2-furoyloxy)benzylidene]hydrazinecarboxylate
CID 6073333
methyl (2Z)-2-[4-(2-furoyloxy)benzylidene]hydrazinecarboxylate
CID 6187258

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate?
The IUPAC name of [4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate (CID 6893468) is [4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate?
The canonical SMILES for [4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate is COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccco1.
What is the InChIKey of [4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate?
The InChIKey is TYSIKHZMYLVIHZ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-20-12-7-9(8-16-17-14(15)19)4-5-10(12)22-13(18)11-3-2-6-21-11/h2-8H,1H3,(H3,15,17,19)/b16-8+.
What are the key properties of [4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate?
[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate has a molecular weight of 303.27 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate is sourced from PubChem (CID 6893468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).