ethyl 2-cyclopropylidenepropanoate

C8H12O2 — CID 11105444

IUPACethyl 2-cyclopropylidenepropanoate
SMILESCCOC(=O)C(C)=C1CC1
InChIInChI=1S/C8H12O2/c1-3-10-8(9)6(2)7-4-5-7/h3-5H2,1-2H3
InChIKeyDQSJNCIOZWFDOI-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds2

About ethyl 2-cyclopropylidenepropanoate

ethyl 2-cyclopropylidenepropanoate (PubChem CID 11105444) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is ethyl 2-cyclopropylidenepropanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropylidenepropanoate
PubChem CID11105444
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nameethyl 2-cyclopropylidenepropanoate
SMILESCCOC(=O)C(C)=C1CC1
InChIInChI=1S/C8H12O2/c1-3-10-8(9)6(2)7-4-5-7/h3-5H2,1-2H3
InChIKeyDQSJNCIOZWFDOI-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
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-cyclopropylidenepropanoate?
The IUPAC name of ethyl 2-cyclopropylidenepropanoate (CID 11105444) is ethyl 2-cyclopropylidenepropanoate.
What is the SMILES notation for ethyl 2-cyclopropylidenepropanoate?
The canonical SMILES for ethyl 2-cyclopropylidenepropanoate is CCOC(=O)C(C)=C1CC1.
What is the InChIKey of ethyl 2-cyclopropylidenepropanoate?
The InChIKey is DQSJNCIOZWFDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-10-8(9)6(2)7-4-5-7/h3-5H2,1-2H3.
What are the key properties of ethyl 2-cyclopropylidenepropanoate?
ethyl 2-cyclopropylidenepropanoate has a molecular weight of 140.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropylidenepropanoate is sourced from PubChem (CID 11105444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).