ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate

C11H15N3O2 — CID 177496938

IUPACethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate
SMILESCCOC(=O)CN/N=C(\C)c1ccccn1
InChIInChI=1S/C11H15N3O2/c1-3-16-11(15)8-13-14-9(2)10-6-4-5-7-12-10/h4-7,13H,3,8H2,1-2H3/b14-9+
InChIKeyVRMHAEIPMVKHNJ-NTEUORMPSA-N
MW221.26 g/mol
LogP0.96
Rot. Bonds5

About ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate

ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate (PubChem CID 177496938) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate
PubChem CID177496938
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Nameethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate
SMILESCCOC(=O)CN/N=C(\C)c1ccccn1
InChIInChI=1S/C11H15N3O2/c1-3-16-11(15)8-13-14-9(2)10-6-4-5-7-12-10/h4-7,13H,3,8H2,1-2H3/b14-9+
InChIKeyVRMHAEIPMVKHNJ-NTEUORMPSA-N
XLogP0.96
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid
CID 165352086
[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol
CID 173340240
ethyl pyridine-2-carboxylate
CID 17307
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
ethyl (Z)-3-ethoxy-3-hydroxy-2-[(E)-N'-[(Z)-1-pyridin-2-ylethylideneamino]carbamimidoyl]prop-2-enoate
CID 135681168
trimethyl-[2-oxo-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]ethyl]azanium
CID 15703229
ethyl (E)-3-pyridin-2-ylbut-2-enoate
CID 22236931
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
CID 4542749
ethyl (3S)-3-methyl-5-methylimino-5-pyridin-2-ylpentanoate
CID 166864281

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate?
The IUPAC name of ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate (CID 177496938) is ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate.
What is the SMILES notation for ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate?
The canonical SMILES for ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate is CCOC(=O)CN/N=C(\C)c1ccccn1.
What is the InChIKey of ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate?
The InChIKey is VRMHAEIPMVKHNJ-NTEUORMPSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-16-11(15)8-13-14-9(2)10-6-4-5-7-12-10/h4-7,13H,3,8H2,1-2H3/b14-9+.
What are the key properties of ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate?
ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate has a molecular weight of 221.26 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate is sourced from PubChem (CID 177496938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).