ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate

C10H12N4O6 — CID 5356210

IUPACethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate
SMILESCCOC(=O)CN(/N=C/c1ccc([N+](=O)[O-])o1)C(N)=O
InChIInChI=1S/C10H12N4O6/c1-2-19-9(15)6-13(10(11)16)12-5-7-3-4-8(20-7)14(17)18/h3-5H,2,6H2,1H3,(H2,11,16)/b12-5+
InChIKeyONHUPCAVZVIYFY-LFYBBSHMSA-N
MW284.23 g/mol
LogP0.47
Rot. Bonds6

About ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate

ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate (PubChem CID 5356210) has the molecular formula C10H12N4O6 and a molecular weight of 284.23 g/mol. Its IUPAC name is ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate
PubChem CID5356210
Molecular FormulaC10H12N4O6
Molecular Weight284.23 g/mol
Exact Mass284.08
IUPAC Nameethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate
SMILESCCOC(=O)CN(/N=C/c1ccc([N+](=O)[O-])o1)C(N)=O
InChIInChI=1S/C10H12N4O6/c1-2-19-9(15)6-13(10(11)16)12-5-7-3-4-8(20-7)14(17)18/h3-5H,2,6H2,1H3,(H2,11,16)/b12-5+
InChIKeyONHUPCAVZVIYFY-LFYBBSHMSA-N
XLogP0.47
TPSA141.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Furazolidone
CID 5323714
Nitrofurazone
CID 5447130
Nitrofurantoin
CID 6604200
Furaltadone
CID 9553856
Furantoin
CID 4509
Nifuratel
CID 6433427
Nifuradene
CID 9568055
Furagin
CID 6870646
Nifurtoinol
CID 9571062
2-[(5-Nitro-2-furanyl)methylene]-hydrazinecarboxamide
CID 1839
Levofuraltadone
CID 9579050
Furaltadone hydrochloride
CID 9576185

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate?
The IUPAC name of ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate (CID 5356210) is ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate.
What is the SMILES notation for ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate?
The canonical SMILES for ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate is CCOC(=O)CN(/N=C/c1ccc([N+](=O)[O-])o1)C(N)=O.
What is the InChIKey of ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate?
The InChIKey is ONHUPCAVZVIYFY-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H12N4O6/c1-2-19-9(15)6-13(10(11)16)12-5-7-3-4-8(20-7)14(17)18/h3-5H,2,6H2,1H3,(H2,11,16)/b12-5+.
What are the key properties of ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate?
ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate has a molecular weight of 284.23 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate is sourced from PubChem (CID 5356210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).