ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate

C9H11N3O5 — CID 3633042

IUPACethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate
SMILESCCOC(=O)NN=C(C)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H11N3O5/c1-3-16-9(13)11-10-6(2)7-4-5-8(17-7)12(14)15/h4-5H,3H2,1-2H3,(H,11,13)
InChIKeyWGLBIVWJLKRZQT-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.66
Rot. Bonds4

About ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate

ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate (PubChem CID 3633042) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate
PubChem CID3633042
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Nameethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate
SMILESCCOC(=O)NN=C(C)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H11N3O5/c1-3-16-9(13)11-10-6(2)7-4-5-8(17-7)12(14)15/h4-5H,3H2,1-2H3,(H,11,13)
InChIKeyWGLBIVWJLKRZQT-UHFFFAOYSA-N
XLogP1.66
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

ethyl N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]carbamate
CID 6372599
2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide
CID 5331214
2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide
CID 6383181
4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline
CID 2831871
[(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea
CID 6536920
ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 2739255
ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 87901864
octyl 5-nitrofuran-2-carboxylate
CID 5106395
ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate
CID 3848888
[3-(5-nitrofuran-2-carbonyl)oxy-2-oxopropyl] 5-nitrofuran-2-carboxylate
CID 2406638
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]triazole-4-carboxamide;hydrochloride
CID 171669365
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide
CID 122355959

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate?
The IUPAC name of ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate (CID 3633042) is ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate is CCOC(=O)NN=C(C)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate?
The InChIKey is WGLBIVWJLKRZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-3-16-9(13)11-10-6(2)7-4-5-8(17-7)12(14)15/h4-5H,3H2,1-2H3,(H,11,13).
What are the key properties of ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate?
ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate has a molecular weight of 241.20 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate is sourced from PubChem (CID 3633042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).