N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide

C9H8N4O5 — CID 23424395

IUPACN'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide
SMILESNC(=O)C(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H8N4O5/c10-8(14)9(15)12-11-5-1-2-6-3-4-7(18-6)13(16)17/h1-5H,(H2,10,14)(H,12,15)/b2-1+,11-5+
InChIKeyCKKJOMUCSUPIDH-UAIOPKHMSA-N
MW252.19 g/mol
LogP-0.21
Rot. Bonds4

About N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide

N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide (PubChem CID 23424395) has the molecular formula C9H8N4O5 and a molecular weight of 252.19 g/mol. Its IUPAC name is N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide.

Molecular Properties

Compound NameN'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide
PubChem CID23424395
Molecular FormulaC9H8N4O5
Molecular Weight252.19 g/mol
Exact Mass252.05
IUPAC NameN'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide
SMILESNC(=O)C(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H8N4O5/c10-8(14)9(15)12-11-5-1-2-6-3-4-7(18-6)13(16)17/h1-5H,(H2,10,14)(H,12,15)/b2-1+,11-5+
InChIKeyCKKJOMUCSUPIDH-UAIOPKHMSA-N
XLogP-0.21
TPSA140.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide
CID 6146777
bis(N'-ethyl-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]carbamimidothioate);palladium(2+)
CID 11982845
2-[(4-chlorophenyl)carbamoylamino]-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]acetamide
CID 71086661
4-hydroxy-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-1-oxo-2H-isoquinoline-3-carboxamide
CID 71086640
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
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 174920742
N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 89261821
4-(5-nitrofuran-2-yl)but-3-en-1-amine
CID 76997154

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide?
The IUPAC name of N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide (CID 23424395) is N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide.
What is the SMILES notation for N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide?
The canonical SMILES for N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide is NC(=O)C(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide?
The InChIKey is CKKJOMUCSUPIDH-UAIOPKHMSA-N. The full InChI is InChI=1S/C9H8N4O5/c10-8(14)9(15)12-11-5-1-2-6-3-4-7(18-6)13(16)17/h1-5H,(H2,10,14)(H,12,15)/b2-1+,11-5+.
What are the key properties of N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide?
N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide has a molecular weight of 252.19 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide is sourced from PubChem (CID 23424395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).