ethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate

C10H15NO4 — CID 10727305

IUPACethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate
SMILESCCOC(=O)C(C#N)C1CCOC1OC
InChIInChI=1S/C10H15NO4/c1-3-14-9(12)8(6-11)7-4-5-15-10(7)13-2/h7-8,10H,3-5H2,1-2H3
InChIKeyNAPXHSCMJVPSHD-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.70
Rot. Bonds4

About ethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate

ethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate (PubChem CID 10727305) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate
PubChem CID10727305
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate
SMILESCCOC(=O)C(C#N)C1CCOC1OC
InChIInChI=1S/C10H15NO4/c1-3-14-9(12)8(6-11)7-4-5-15-10(7)13-2/h7-8,10H,3-5H2,1-2H3
InChIKeyNAPXHSCMJVPSHD-UHFFFAOYSA-N
XLogP0.70
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-cyano-5,5-diethoxypentanoate
CID 14506191
Ethyl 3-cyano-5,5-diethoxypentanoate
CID 21699259
2-Cyano-2-(2-methoxyoxolan-3-yl)butanoic acid
CID 70033786
Ethyl 2-cyano-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylbutanoate
CID 90025978
(4,5-Dicyano-6-oxooxan-2-yl) 2,2-dimethylpropanoate
CID 138459903
2,5-Dioxo-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-4-carbonitrile
CID 159396493
(1S,2R,5R)-2-methoxy-4-oxo-3-oxabicyclo[3.1.0]hexane-6,6-dicarbonitrile
CID 13906069
methyl (1S,2R,5R)-6-cyano-2-methoxy-4-oxo-3-oxabicyclo[3.1.0]hexane-6-carboxylate
CID 13906071
ethyl 2-cyano-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 45101907
Diethyl 2-cyano-3-(diethoxymethyl)pentanedioate
CID 71444558
Ethyl 2-cyano-2-(tetrahydrofuran-3-YL)acetate
CID 81755842

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate?
The IUPAC name of ethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate (CID 10727305) is ethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate?
The canonical SMILES for ethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate is CCOC(=O)C(C#N)C1CCOC1OC.
What is the InChIKey of ethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate?
The InChIKey is NAPXHSCMJVPSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-14-9(12)8(6-11)7-4-5-15-10(7)13-2/h7-8,10H,3-5H2,1-2H3.
What are the key properties of ethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate?
ethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate has a molecular weight of 213.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(2-methoxyoxolan-3-yl)acetate is sourced from PubChem (CID 10727305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).