N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide

C10H7N3O5 — CID 45108950

IUPACN-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H7N3O5/c14-10(8-3-4-9(18-8)13(15)16)12-11-6-7-2-1-5-17-7/h1-6H,(H,12,14)/b11-6+
InChIKeyMCBMXONVNRWYLS-IZZDOVSWSA-N
MW249.18 g/mol
LogP1.54
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide (PubChem CID 45108950) has the molecular formula C10H7N3O5 and a molecular weight of 249.18 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide
PubChem CID45108950
Molecular FormulaC10H7N3O5
Molecular Weight249.18 g/mol
Exact Mass249.04
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H7N3O5/c14-10(8-3-4-9(18-8)13(15)16)12-11-6-7-2-1-5-17-7/h1-6H,(H,12,14)/b11-6+
InChIKeyMCBMXONVNRWYLS-IZZDOVSWSA-N
XLogP1.54
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 51.54
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

5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide
CID 23424385
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide
CID 9352807
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N-[(E)-(1-acetylindol-3-yl)methylideneamino]-5-nitrofuran-2-carboxamide
CID 45108901
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5428249
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 5404081
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907
N-(furan-2-ylmethylideneamino)-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 828981

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide (CID 45108950) is N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide is O=C(N/N=C/c1ccco1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide?
The InChIKey is MCBMXONVNRWYLS-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H7N3O5/c14-10(8-3-4-9(18-8)13(15)16)12-11-6-7-2-1-5-17-7/h1-6H,(H,12,14)/b11-6+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide has a molecular weight of 249.18 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 45108950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).