ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate

C11H11N3O2 — CID 175981441

IUPACethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)C=NNc1ccc(C#N)cc1
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)8-13-14-10-5-3-9(7-12)4-6-10/h3-6,8,14H,2H2,1H3
InChIKeyLIYRUQQREIGVBP-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.52
Rot. Bonds4

About ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate

ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate (PubChem CID 175981441) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate
PubChem CID175981441
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Nameethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)C=NNc1ccc(C#N)cc1
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)8-13-14-10-5-3-9(7-12)4-6-10/h3-6,8,14H,2H2,1H3
InChIKeyLIYRUQQREIGVBP-UHFFFAOYSA-N
XLogP1.52
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.52
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

ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
4-[2-(2-ethoxy-2-oxoethylidene)hydrazinyl]benzenesulfonic acid
CID 176888579
ethyl N-[4-(4-cyanoanilino)phenyl]carbamate
CID 112990074
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
methyl 4-[(E)-[(4-cyanophenyl)hydrazinylidene]methyl]benzoate
CID 46915929
ethyl (E)-4-(4-cyano-N-methylanilino)but-2-enoate
CID 80549808
ethyl (2S)-3-[(4-cyanophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoate
CID 97307855
ethyl 2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylacetate
CID 4089203
ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate
CID 71428518
ethyl 2-[(2E)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-3-ium-5-carboxylate chloride
CID 136950385
N-[2-(4-cyanoanilino)ethyl]acetamide
CID 43401184
ethyl 4-(4-cyanobenzoyl)benzoate
CID 11471481

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate (CID 175981441) is ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate is CCOC(=O)C=NNc1ccc(C#N)cc1.
What is the InChIKey of ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate?
The InChIKey is LIYRUQQREIGVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-16-11(15)8-13-14-10-5-3-9(7-12)4-6-10/h3-6,8,14H,2H2,1H3.
What are the key properties of ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate?
ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate has a molecular weight of 217.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 175981441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).