methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate

C14H13N3O4 — CID 6888698

IUPACmethyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(/C=N/NC(N)=O)o1
InChIInChI=1S/C14H13N3O4/c1-20-13(18)11-5-3-2-4-10(11)12-7-6-9(21-12)8-16-17-14(15)19/h2-8H,1H3,(H3,15,17,19)/b16-8+
InChIKeyYBHOYSRBPHMBQY-LZYBPNLTSA-N
MW287.28 g/mol
LogP1.74
Rot. Bonds4

About methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate

methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate (PubChem CID 6888698) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
PubChem CID6888698
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Namemethyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(/C=N/NC(N)=O)o1
InChIInChI=1S/C14H13N3O4/c1-20-13(18)11-5-3-2-4-10(11)12-7-6-9(21-12)8-16-17-14(15)19/h2-8H,1H3,(H3,15,17,19)/b16-8+
InChIKeyYBHOYSRBPHMBQY-LZYBPNLTSA-N
XLogP1.74
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.74
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'}

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Related Compounds

2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
methyl 2-[5-[(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 4271764
methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 3429984
methyl 2-[5-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126254581
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
methyl 2-[5-[(4-chlorophenyl)iminomethyl]furan-2-yl]benzoate
CID 963942
methyl 3-[5-[(Z)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6255875
[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
CID 30105868
methyl 2-[5-[(Z)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-4-chlorobenzoate
CID 5427183
[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
CID 126206866
methyl 2-[5-[(Z)-[[2-(1,3-benzodioxol-5-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126229949
propan-2-yl 2-[5-[(Z)-(carbamoylhydrazinylidene)methyl]furan-2-yl]-4-chlorobenzoate
CID 5427186

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate?
The IUPAC name of methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate (CID 6888698) is methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate.
What is the SMILES notation for methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate?
The canonical SMILES for methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate is COC(=O)c1ccccc1-c1ccc(/C=N/NC(N)=O)o1.
What is the InChIKey of methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate?
The InChIKey is YBHOYSRBPHMBQY-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-20-13(18)11-5-3-2-4-10(11)12-7-6-9(21-12)8-16-17-14(15)19/h2-8H,1H3,(H3,15,17,19)/b16-8+.
What are the key properties of methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate?
methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate has a molecular weight of 287.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate is sourced from PubChem (CID 6888698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).