2-[1-(methylamino)-2-nitroethenyl]guanidine

C4H9N5O2 — CID 5154825

IUPAC2-[1-(methylamino)-2-nitroethenyl]guanidine
SMILESCNC(=C[N+](=O)[O-])N=C(N)N
InChIInChI=1S/C4H9N5O2/c1-7-3(2-9(10)11)8-4(5)6/h2,7H,1H3,(H4,5,6,8)
InChIKeyLOSSUBRUNJRFOX-UHFFFAOYSA-N
MW159.15 g/mol
LogP-1.45
Rot. Bonds3

About 2-[1-(methylamino)-2-nitroethenyl]guanidine

2-[1-(methylamino)-2-nitroethenyl]guanidine (PubChem CID 5154825) has the molecular formula C4H9N5O2 and a molecular weight of 159.15 g/mol. Its IUPAC name is 2-[1-(methylamino)-2-nitroethenyl]guanidine.

Molecular Properties

Compound Name2-[1-(methylamino)-2-nitroethenyl]guanidine
PubChem CID5154825
Molecular FormulaC4H9N5O2
Molecular Weight159.15 g/mol
Exact Mass159.08
IUPAC Name2-[1-(methylamino)-2-nitroethenyl]guanidine
SMILESCNC(=C[N+](=O)[O-])N=C(N)N
InChIInChI=1S/C4H9N5O2/c1-7-3(2-9(10)11)8-4(5)6/h2,7H,1H3,(H4,5,6,8)
InChIKeyLOSSUBRUNJRFOX-UHFFFAOYSA-N
XLogP-1.45
TPSA119.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)-2-nitroethenyl]guanidine?
The IUPAC name of 2-[1-(methylamino)-2-nitroethenyl]guanidine (CID 5154825) is 2-[1-(methylamino)-2-nitroethenyl]guanidine.
What is the SMILES notation for 2-[1-(methylamino)-2-nitroethenyl]guanidine?
The canonical SMILES for 2-[1-(methylamino)-2-nitroethenyl]guanidine is CNC(=C[N+](=O)[O-])N=C(N)N.
What is the InChIKey of 2-[1-(methylamino)-2-nitroethenyl]guanidine?
The InChIKey is LOSSUBRUNJRFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O2/c1-7-3(2-9(10)11)8-4(5)6/h2,7H,1H3,(H4,5,6,8).
What are the key properties of 2-[1-(methylamino)-2-nitroethenyl]guanidine?
2-[1-(methylamino)-2-nitroethenyl]guanidine has a molecular weight of 159.15 g/mol, XLogP of -1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)-2-nitroethenyl]guanidine is sourced from PubChem (CID 5154825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).