[(E)-[amino-(N-methylanilino)methylidene]amino] nitrate

C8H10N4O3 — CID 141131237

IUPAC[(E)-[amino-(N-methylanilino)methylidene]amino] nitrate
SMILESCN(/C(N)=N/O[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C8H10N4O3/c1-11(7-5-3-2-4-6-7)8(9)10-15-12(13)14/h2-6H,1H3,(H2,9,10)
InChIKeyRMSILJQAXVNCCM-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.56
Rot. Bonds3

About [(E)-[amino-(N-methylanilino)methylidene]amino] nitrate

[(E)-[amino-(N-methylanilino)methylidene]amino] nitrate (PubChem CID 141131237) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is [(E)-[amino-(N-methylanilino)methylidene]amino] nitrate.

Molecular Properties

Compound Name[(E)-[amino-(N-methylanilino)methylidene]amino] nitrate
PubChem CID141131237
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name[(E)-[amino-(N-methylanilino)methylidene]amino] nitrate
SMILESCN(/C(N)=N/O[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C8H10N4O3/c1-11(7-5-3-2-4-6-7)8(9)10-15-12(13)14/h2-6H,1H3,(H2,9,10)
InChIKeyRMSILJQAXVNCCM-UHFFFAOYSA-N
XLogP0.56
TPSA93.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
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 [(E)-[amino-(N-methylanilino)methylidene]amino] nitrate?
The IUPAC name of [(E)-[amino-(N-methylanilino)methylidene]amino] nitrate (CID 141131237) is [(E)-[amino-(N-methylanilino)methylidene]amino] nitrate.
What is the SMILES notation for [(E)-[amino-(N-methylanilino)methylidene]amino] nitrate?
The canonical SMILES for [(E)-[amino-(N-methylanilino)methylidene]amino] nitrate is CN(/C(N)=N/O[N+](=O)[O-])c1ccccc1.
What is the InChIKey of [(E)-[amino-(N-methylanilino)methylidene]amino] nitrate?
The InChIKey is RMSILJQAXVNCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-11(7-5-3-2-4-6-7)8(9)10-15-12(13)14/h2-6H,1H3,(H2,9,10).
What are the key properties of [(E)-[amino-(N-methylanilino)methylidene]amino] nitrate?
[(E)-[amino-(N-methylanilino)methylidene]amino] nitrate has a molecular weight of 210.19 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[amino-(N-methylanilino)methylidene]amino] nitrate is sourced from PubChem (CID 141131237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).