(1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine

C6H6N4O3 — CID 122707394

IUPAC(1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine
SMILES[H]/N=C(N)/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H6N4O3/c7-6(8)9-3-4-1-2-5(13-4)10(11)12/h1-3H,(H3,7,8)/b9-3+
InChIKeyOMJDJKDZABKOCU-YCRREMRBSA-N
MW182.14 g/mol
LogP0.50
Rot. Bonds2

About (1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine

(1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine (PubChem CID 122707394) has the molecular formula C6H6N4O3 and a molecular weight of 182.14 g/mol. Its IUPAC name is (1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine.

Molecular Properties

Compound Name(1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine
PubChem CID122707394
Molecular FormulaC6H6N4O3
Molecular Weight182.14 g/mol
Exact Mass182.04
IUPAC Name(1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine
SMILES[H]/N=C(N)/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H6N4O3/c7-6(8)9-3-4-1-2-5(13-4)10(11)12/h1-3H,(H3,7,8)/b9-3+
InChIKeyOMJDJKDZABKOCU-YCRREMRBSA-N
XLogP0.50
TPSA118.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[(5-nitrofuran-2-yl)methylideneamino]aniline
CID 54597944
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine
CID 2732920
N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide
CID 172964474
copper;bis((3E)-3-[(5-nitrofuran-2-yl)methylidene]-1,1-dipropylthiourea);dichloride
CID 11787349
N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 174920742
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 6061574
propyl N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamimidothioate;hydroiodide
CID 54605822
1-[3-(4-methylpiperidin-1-yl)propyl]-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]guanidine;trihydrobromide
CID 173385461
2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6433366
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine?
The IUPAC name of (1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine (CID 122707394) is (1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine.
What is the SMILES notation for (1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine?
The canonical SMILES for (1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine is [H]/N=C(N)/N=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine?
The InChIKey is OMJDJKDZABKOCU-YCRREMRBSA-N. The full InChI is InChI=1S/C6H6N4O3/c7-6(8)9-3-4-1-2-5(13-4)10(11)12/h1-3H,(H3,7,8)/b9-3+.
What are the key properties of (1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine?
(1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine has a molecular weight of 182.14 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine is sourced from PubChem (CID 122707394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).