ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate

C10H16N2O3 — CID 75481275

IUPACethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate
SMILESCCOC(=O)N1C(C#N)COCC1(C)C
InChIInChI=1S/C10H16N2O3/c1-4-15-9(13)12-8(5-11)6-14-7-10(12,2)3/h8H,4,6-7H2,1-3H3
InChIKeyGTORJVLRKZFKMV-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.15
Rot. Bonds1

About ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate

ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate (PubChem CID 75481275) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate
PubChem CID75481275
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate
SMILESCCOC(=O)N1C(C#N)COCC1(C)C
InChIInChI=1S/C10H16N2O3/c1-4-15-9(13)12-8(5-11)6-14-7-10(12,2)3/h8H,4,6-7H2,1-3H3
InChIKeyGTORJVLRKZFKMV-UHFFFAOYSA-N
XLogP1.15
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate?
The IUPAC name of ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate (CID 75481275) is ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate.
What is the SMILES notation for ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate?
The canonical SMILES for ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate is CCOC(=O)N1C(C#N)COCC1(C)C.
What is the InChIKey of ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate?
The InChIKey is GTORJVLRKZFKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-15-9(13)12-8(5-11)6-14-7-10(12,2)3/h8H,4,6-7H2,1-3H3.
What are the key properties of ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate?
ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate is sourced from PubChem (CID 75481275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).