2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate

C10H14N4O2 — CID 59228865

IUPAC2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate
SMILESNN/C(N)=N/CCOC(=O)c1ccccc1
InChIInChI=1S/C10H14N4O2/c11-10(14-12)13-6-7-16-9(15)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H3,11,13,14)
InChIKeyFXUYBKMATMEKLB-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.38
Rot. Bonds4

About 2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate

2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate (PubChem CID 59228865) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate.

Molecular Properties

Compound Name2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate
PubChem CID59228865
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate
SMILESNN/C(N)=N/CCOC(=O)c1ccccc1
InChIInChI=1S/C10H14N4O2/c11-10(14-12)13-6-7-16-9(15)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H3,11,13,14)
InChIKeyFXUYBKMATMEKLB-UHFFFAOYSA-N
XLogP-0.38
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate?
The IUPAC name of 2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate (CID 59228865) is 2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate.
What is the SMILES notation for 2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate?
The canonical SMILES for 2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate is NN/C(N)=N/CCOC(=O)c1ccccc1.
What is the InChIKey of 2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate?
The InChIKey is FXUYBKMATMEKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-10(14-12)13-6-7-16-9(15)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H3,11,13,14).
What are the key properties of 2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate?
2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate has a molecular weight of 222.25 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate is sourced from PubChem (CID 59228865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).