ethyl 2-benzylimino-2-hydrazinylacetate

C11H15N3O2 — CID 144684683

IUPACethyl 2-benzylimino-2-hydrazinylacetate
SMILESCCOC(=O)/C(=N\Cc1ccccc1)NN
InChIInChI=1S/C11H15N3O2/c1-2-16-11(15)10(14-12)13-8-9-6-4-3-5-7-9/h3-7H,2,8,12H2,1H3,(H,13,14)
InChIKeyCKQLODMELKTNFW-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.61
Rot. Bonds3

About ethyl 2-benzylimino-2-hydrazinylacetate

ethyl 2-benzylimino-2-hydrazinylacetate (PubChem CID 144684683) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 2-benzylimino-2-hydrazinylacetate.

Molecular Properties

Compound Nameethyl 2-benzylimino-2-hydrazinylacetate
PubChem CID144684683
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Nameethyl 2-benzylimino-2-hydrazinylacetate
SMILESCCOC(=O)/C(=N\Cc1ccccc1)NN
InChIInChI=1S/C11H15N3O2/c1-2-16-11(15)10(14-12)13-8-9-6-4-3-5-7-9/h3-7H,2,8,12H2,1H3,(H,13,14)
InChIKeyCKQLODMELKTNFW-UHFFFAOYSA-N
XLogP0.61
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 ethyl 2-benzylimino-2-hydrazinylacetate?
The IUPAC name of ethyl 2-benzylimino-2-hydrazinylacetate (CID 144684683) is ethyl 2-benzylimino-2-hydrazinylacetate.
What is the SMILES notation for ethyl 2-benzylimino-2-hydrazinylacetate?
The canonical SMILES for ethyl 2-benzylimino-2-hydrazinylacetate is CCOC(=O)/C(=N\Cc1ccccc1)NN.
What is the InChIKey of ethyl 2-benzylimino-2-hydrazinylacetate?
The InChIKey is CKQLODMELKTNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-16-11(15)10(14-12)13-8-9-6-4-3-5-7-9/h3-7H,2,8,12H2,1H3,(H,13,14).
What are the key properties of ethyl 2-benzylimino-2-hydrazinylacetate?
ethyl 2-benzylimino-2-hydrazinylacetate has a molecular weight of 221.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzylimino-2-hydrazinylacetate is sourced from PubChem (CID 144684683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).