ethyl 3-cyclobutylprop-2-enoate

C9H14O2 — CID 54090850

IUPACethyl 3-cyclobutylprop-2-enoate
SMILESCCOC(=O)C=CC1CCC1
InChIInChI=1S/C9H14O2/c1-2-11-9(10)7-6-8-4-3-5-8/h6-8H,2-5H2,1H3
InChIKeyMTSXEFJYMRCFOZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds3

About ethyl 3-cyclobutylprop-2-enoate

ethyl 3-cyclobutylprop-2-enoate (PubChem CID 54090850) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethyl 3-cyclobutylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-cyclobutylprop-2-enoate
PubChem CID54090850
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethyl 3-cyclobutylprop-2-enoate
SMILESCCOC(=O)C=CC1CCC1
InChIInChI=1S/C9H14O2/c1-2-11-9(10)7-6-8-4-3-5-8/h6-8H,2-5H2,1H3
InChIKeyMTSXEFJYMRCFOZ-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
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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Related Compounds

propyl (E)-3-cyclopentylprop-2-enoate
CID 10679014
propyl (E)-3-cyclohexylprop-2-enoate
CID 10750409
4-(3-ethoxy-3-oxoprop-1-enyl)piperidine-1-carboxylic acid
CID 70246318
ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate
CID 52916277
ethyl (E)-3-[(2S)-2-hydroxycyclopentyl]prop-2-enoate
CID 132522889
ethyl (E)-3-(1-tert-butylpiperidin-4-yl)prop-2-enoate
CID 141280258
ethyl (E)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enoate
CID 23062586
methyl (E)-3-cyclobutylprop-2-enoate
CID 79872692
ethyl 3-pyrrolidin-3-ylprop-2-enoate
CID 54435450
prop-2-enyl (E)-3-cyclopentylprop-2-enoate
CID 11687001
2-methylpropyl (E)-3-cycloheptylprop-2-enoate
CID 11629960
ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate
CID 168932647

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclobutylprop-2-enoate?
The IUPAC name of ethyl 3-cyclobutylprop-2-enoate (CID 54090850) is ethyl 3-cyclobutylprop-2-enoate.
What is the SMILES notation for ethyl 3-cyclobutylprop-2-enoate?
The canonical SMILES for ethyl 3-cyclobutylprop-2-enoate is CCOC(=O)C=CC1CCC1.
What is the InChIKey of ethyl 3-cyclobutylprop-2-enoate?
The InChIKey is MTSXEFJYMRCFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-9(10)7-6-8-4-3-5-8/h6-8H,2-5H2,1H3.
What are the key properties of ethyl 3-cyclobutylprop-2-enoate?
ethyl 3-cyclobutylprop-2-enoate has a molecular weight of 154.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclobutylprop-2-enoate is sourced from PubChem (CID 54090850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).