2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate

C10H13NO5 — CID 156542048

IUPAC2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate
SMILESC=CC(=O)OCCOCCOC(=O)CC#N
InChIInChI=1S/C10H13NO5/c1-2-9(12)15-7-5-14-6-8-16-10(13)3-4-11/h2H,1,3,5-8H2
InChIKeyFMIHQGQEXSKFET-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.19
Rot. Bonds8

About 2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate

2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate (PubChem CID 156542048) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate.

Molecular Properties

Compound Name2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate
PubChem CID156542048
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate
SMILESC=CC(=O)OCCOCCOC(=O)CC#N
InChIInChI=1S/C10H13NO5/c1-2-9(12)15-7-5-14-6-8-16-10(13)3-4-11/h2H,1,3,5-8H2
InChIKeyFMIHQGQEXSKFET-UHFFFAOYSA-N
XLogP0.19
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2-cyanoacetyl)oxymethoxy]ethyl 2-cyanoacetate
CID 174353927
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
pent-4-enyl 2-cyanoacetate
CID 12029471
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 102203586
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate
CID 153320146
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
CID 59702805
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
2-[2,2-bis(2-propanoyloxyethoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl propanoate
CID 89084261

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate?
The IUPAC name of 2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate (CID 156542048) is 2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate.
What is the SMILES notation for 2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate?
The canonical SMILES for 2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate is C=CC(=O)OCCOCCOC(=O)CC#N.
What is the InChIKey of 2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate?
The InChIKey is FMIHQGQEXSKFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-2-9(12)15-7-5-14-6-8-16-10(13)3-4-11/h2H,1,3,5-8H2.
What are the key properties of 2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate?
2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate has a molecular weight of 227.22 g/mol, XLogP of 0.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoyloxyethoxy)ethyl 2-cyanoacetate is sourced from PubChem (CID 156542048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).