2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine

C14H12N6O6 — CID 13118

IUPAC2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine
SMILESNC(N)=NN=C(C=Cc1ccc([N+](=O)[O-])o1)C=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H12N6O6/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24/h1-8H,(H4,15,16,18)
InChIKeyXQCFHQBGMWUEMY-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.05
Rot. Bonds7

About 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine

2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine (PubChem CID 13118) has the molecular formula C14H12N6O6 and a molecular weight of 360.29 g/mol. Its IUPAC name is 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine.

Molecular Properties

Compound Name2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine
PubChem CID13118
Molecular FormulaC14H12N6O6
Molecular Weight360.29 g/mol
Exact Mass360.08
IUPAC Name2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine
SMILESNC(N)=NN=C(C=Cc1ccc([N+](=O)[O-])o1)C=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H12N6O6/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24/h1-8H,(H4,15,16,18)
InChIKeyXQCFHQBGMWUEMY-UHFFFAOYSA-N
XLogP2.05
TPSA189.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-Furancarboxaldehyde, 5-nitro-, ((5-nitro-2-furanyl)methylene)hydrazone
CID 6897752
Guanofuracin
CID 9570078
trans-2-[(DIMETHYLAMINO)METHYLIMINO]-5-[2-(5-NITRO-2-FURYL)VINYL]-1,3,4-OXADIAZOLE
CID 9570442
5-Nitro-2-furanacrylic N-(5-nitro-2-furfurylidene)hydrazide
CID 9577606
2-(1,5-Bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylidene)hydrazinecarboximidamide
CID 6252910
Ketone, methyl 5-nitro-2-furyl, semicarbazone
CID 5354326
3-Buten-2-one, 4-(5-nitro-2-furanyl)-
CID 5356458
1,3,4-Thiadiazol-2-amine, 5-(2-(5-nitro-2-furanyl)ethenyl)-
CID 5374030
1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one
CID 95565
Nitrovin hydrochloride
CID 107975
3-[3-(5-Nitro-2-furyl)-1-[2-(5-nitro-2-furyl)vinyl]allylidene]carbazamidine monohydrochloride
CID 6437376
5-Nitro-2-furanacrylaldehyde 1-semicarbazone
CID 9561452

Frequently Asked Questions

What is the IUPAC name of 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine?
The IUPAC name of 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine (CID 13118) is 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine.
What is the SMILES notation for 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine?
The canonical SMILES for 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine is NC(N)=NN=C(C=Cc1ccc([N+](=O)[O-])o1)C=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine?
The InChIKey is XQCFHQBGMWUEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O6/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24/h1-8H,(H4,15,16,18).
What are the key properties of 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine?
2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine has a molecular weight of 360.29 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine is sourced from PubChem (CID 13118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).