5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide

C12H8N4O7 — CID 23424385

IUPAC5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide
SMILESO=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H8N4O7/c17-12(9-4-6-11(23-9)16(20)21)14-13-7-1-2-8-3-5-10(22-8)15(18)19/h1-7H,(H,14,17)/b2-1+,13-7+
InChIKeyIILWRBLNZOGRSD-BIZLIJPVSA-N
MW320.22 g/mol
LogP2.12
Rot. Bonds6

About 5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide

5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide (PubChem CID 23424385) has the molecular formula C12H8N4O7 and a molecular weight of 320.22 g/mol. Its IUPAC name is 5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide
PubChem CID23424385
Molecular FormulaC12H8N4O7
Molecular Weight320.22 g/mol
Exact Mass320.04
IUPAC Name5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide
SMILESO=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H8N4O7/c17-12(9-4-6-11(23-9)16(20)21)14-13-7-1-2-8-3-5-10(22-8)15(18)19/h1-7H,(H,14,17)/b2-1+,13-7+
InChIKeyIILWRBLNZOGRSD-BIZLIJPVSA-N
XLogP2.12
TPSA154.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide
CID 6146777
N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide
CID 23424395
4-hydroxy-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-1-oxo-2H-isoquinoline-3-carboxamide
CID 71086640
bis(N'-ethyl-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]carbamimidothioate);palladium(2+)
CID 11982845
N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide
CID 45108950
2-[(4-chlorophenyl)carbamoylamino]-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]acetamide
CID 71086661
N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 89261821
1-[(E)-[(2E,4E)-5-(5-nitrofuran-2-yl)penta-2,4-dienylidene]amino]-3-prop-2-enylthiourea
CID 46225748
N-[(2S)-4-methyl-1-[(2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-1-oxopentan-2-yl]thiophene-2-carboxamide
CID 6445699
3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide
CID 54287634
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide (CID 23424385) is 5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide is O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide?
The InChIKey is IILWRBLNZOGRSD-BIZLIJPVSA-N. The full InChI is InChI=1S/C12H8N4O7/c17-12(9-4-6-11(23-9)16(20)21)14-13-7-1-2-8-3-5-10(22-8)15(18)19/h1-7H,(H,14,17)/b2-1+,13-7+.
What are the key properties of 5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide?
5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide has a molecular weight of 320.22 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide is sourced from PubChem (CID 23424385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).