ethenoxyethane;ethyl 2-cyanoacetate

C9H15NO3 — CID 158765074

IUPACethenoxyethane;ethyl 2-cyanoacetate
SMILESC=COCC.CCOC(=O)CC#N
InChIInChI=1S/C5H7NO2.C4H8O/c1-2-8-5(7)3-4-6;1-3-5-4-2/h2-3H2,1H3;3H,1,4H2,2H3
InChIKeyIPDQLDXAVNJHKB-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.63
Rot. Bonds4

About ethenoxyethane;ethyl 2-cyanoacetate

ethenoxyethane;ethyl 2-cyanoacetate (PubChem CID 158765074) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethenoxyethane;ethyl 2-cyanoacetate.

Molecular Properties

Compound Nameethenoxyethane;ethyl 2-cyanoacetate
PubChem CID158765074
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethenoxyethane;ethyl 2-cyanoacetate
SMILESC=COCC.CCOC(=O)CC#N
InChIInChI=1S/C5H7NO2.C4H8O/c1-2-8-5(7)3-4-6;1-3-5-4-2/h2-3H2,1H3;3H,1,4H2,2H3
InChIKeyIPDQLDXAVNJHKB-UHFFFAOYSA-N
XLogP1.63
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethenoxyethane;ethyl 2-cyanoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethenoxyethane;ethyl 2-cyanoacetate?
The IUPAC name of ethenoxyethane;ethyl 2-cyanoacetate (CID 158765074) is ethenoxyethane;ethyl 2-cyanoacetate.
What is the SMILES notation for ethenoxyethane;ethyl 2-cyanoacetate?
The canonical SMILES for ethenoxyethane;ethyl 2-cyanoacetate is C=COCC.CCOC(=O)CC#N.
What is the InChIKey of ethenoxyethane;ethyl 2-cyanoacetate?
The InChIKey is IPDQLDXAVNJHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.C4H8O/c1-2-8-5(7)3-4-6;1-3-5-4-2/h2-3H2,1H3;3H,1,4H2,2H3.
What are the key properties of ethenoxyethane;ethyl 2-cyanoacetate?
ethenoxyethane;ethyl 2-cyanoacetate has a molecular weight of 185.22 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethane;ethyl 2-cyanoacetate is sourced from PubChem (CID 158765074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).