ethyl 2-cyclopropylideneacetate

C7H10O2 — CID 11040705

IUPACethyl 2-cyclopropylideneacetate
SMILESCCOC(=O)C=C1CC1
InChIInChI=1S/C7H10O2/c1-2-9-7(8)5-6-3-4-6/h5H,2-4H2,1H3
InChIKeyCINXGNHRKLMYRK-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds2

About ethyl 2-cyclopropylideneacetate

ethyl 2-cyclopropylideneacetate (PubChem CID 11040705) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is ethyl 2-cyclopropylideneacetate.

Molecular Properties

Compound Nameethyl 2-cyclopropylideneacetate
PubChem CID11040705
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Nameethyl 2-cyclopropylideneacetate
SMILESCCOC(=O)C=C1CC1
InChIInChI=1S/C7H10O2/c1-2-9-7(8)5-6-3-4-6/h5H,2-4H2,1H3
InChIKeyCINXGNHRKLMYRK-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropylideneacetate?
The IUPAC name of ethyl 2-cyclopropylideneacetate (CID 11040705) is ethyl 2-cyclopropylideneacetate.
What is the SMILES notation for ethyl 2-cyclopropylideneacetate?
The canonical SMILES for ethyl 2-cyclopropylideneacetate is CCOC(=O)C=C1CC1.
What is the InChIKey of ethyl 2-cyclopropylideneacetate?
The InChIKey is CINXGNHRKLMYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-9-7(8)5-6-3-4-6/h5H,2-4H2,1H3.
What are the key properties of ethyl 2-cyclopropylideneacetate?
ethyl 2-cyclopropylideneacetate has a molecular weight of 126.15 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropylideneacetate is sourced from PubChem (CID 11040705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).