ethyl 2-cyano-2-cyclopropylacetate

C8H11NO2 — CID 10606956

IUPACethyl 2-cyano-2-cyclopropylacetate
SMILESCCOC(=O)C(C#N)C1CC1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7(5-9)6-3-4-6/h6-7H,2-4H2,1H3
InChIKeyFVJQEKBSGPOPLO-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.10
Rot. Bonds3

About ethyl 2-cyano-2-cyclopropylacetate

ethyl 2-cyano-2-cyclopropylacetate (PubChem CID 10606956) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethyl 2-cyano-2-cyclopropylacetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-cyclopropylacetate
PubChem CID10606956
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethyl 2-cyano-2-cyclopropylacetate
SMILESCCOC(=O)C(C#N)C1CC1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7(5-9)6-3-4-6/h6-7H,2-4H2,1H3
InChIKeyFVJQEKBSGPOPLO-UHFFFAOYSA-N
XLogP1.10
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-cyclopropylacetate?
The IUPAC name of ethyl 2-cyano-2-cyclopropylacetate (CID 10606956) is ethyl 2-cyano-2-cyclopropylacetate.
What is the SMILES notation for ethyl 2-cyano-2-cyclopropylacetate?
The canonical SMILES for ethyl 2-cyano-2-cyclopropylacetate is CCOC(=O)C(C#N)C1CC1.
What is the InChIKey of ethyl 2-cyano-2-cyclopropylacetate?
The InChIKey is FVJQEKBSGPOPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-8(10)7(5-9)6-3-4-6/h6-7H,2-4H2,1H3.
What are the key properties of ethyl 2-cyano-2-cyclopropylacetate?
ethyl 2-cyano-2-cyclopropylacetate has a molecular weight of 153.18 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-cyclopropylacetate is sourced from PubChem (CID 10606956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).