ethyl cycloprop-2-ene-1-carboxylate

C6H8O2 — CID 14936132

IUPACethyl cycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)C1C=C1
InChIInChI=1S/C6H8O2/c1-2-8-6(7)5-3-4-5/h3-5H,2H2,1H3
InChIKeyAKHCWBXMFLWAOI-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.74
Rot. Bonds2

About ethyl cycloprop-2-ene-1-carboxylate

ethyl cycloprop-2-ene-1-carboxylate (PubChem CID 14936132) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is ethyl cycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl cycloprop-2-ene-1-carboxylate
PubChem CID14936132
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Nameethyl cycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)C1C=C1
InChIInChI=1S/C6H8O2/c1-2-8-6(7)5-3-4-5/h3-5H,2H2,1H3
InChIKeyAKHCWBXMFLWAOI-UHFFFAOYSA-N
XLogP0.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl cycloprop-2-ene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetraethyl bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate
CID 12580813
diethyl (1S,4R)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 102122255
ethyl 4-chloro-4-sulfamoylcyclohexa-2,5-diene-1-carboxylate
CID 70607452
ethyl 2-iodo-1,2,3,6-tetrahydroazulene-6-carboxylate
CID 11566123
diethyl 3,4-dimethylcyclobutane-1,2-dicarboxylate
CID 121013896
ethyl 3,5-dihydroxy-4-oxocyclohexa-2,5-diene-1-carboxylate
CID 142171281
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate
CID 102308215
ethyl (2R,3S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 13396162
ethyl (1R,2S,3S,4S)-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 102174206
(1S,2S,3S,4R)-3-ethoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 13005433
ethyl (1S,2R,3S,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11886809

Frequently Asked Questions

What is the IUPAC name of ethyl cycloprop-2-ene-1-carboxylate?
The IUPAC name of ethyl cycloprop-2-ene-1-carboxylate (CID 14936132) is ethyl cycloprop-2-ene-1-carboxylate.
What is the SMILES notation for ethyl cycloprop-2-ene-1-carboxylate?
The canonical SMILES for ethyl cycloprop-2-ene-1-carboxylate is CCOC(=O)C1C=C1.
What is the InChIKey of ethyl cycloprop-2-ene-1-carboxylate?
The InChIKey is AKHCWBXMFLWAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-8-6(7)5-3-4-5/h3-5H,2H2,1H3.
What are the key properties of ethyl cycloprop-2-ene-1-carboxylate?
ethyl cycloprop-2-ene-1-carboxylate has a molecular weight of 112.13 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 14936132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).