ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate

C11H16O4 — CID 123260904

IUPACethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C=CC1CC1C(=O)OCC
InChIInChI=1S/C11H16O4/c1-3-14-10(12)6-5-8-7-9(8)11(13)15-4-2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNKCXVZJXRBWDHN-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.30
Rot. Bonds5

About ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate

ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 123260904) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID123260904
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C=CC1CC1C(=O)OCC
InChIInChI=1S/C11H16O4/c1-3-14-10(12)6-5-8-7-9(8)11(13)15-4-2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNKCXVZJXRBWDHN-UHFFFAOYSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate (CID 123260904) is ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate is CCOC(=O)C=CC1CC1C(=O)OCC.
What is the InChIKey of ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is NKCXVZJXRBWDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-14-10(12)6-5-8-7-9(8)11(13)15-4-2/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate?
ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 123260904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).