ethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate

C10H14O2 — CID 122219635

IUPACethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)C1C=C1C1CCC1
InChIInChI=1S/C10H14O2/c1-2-12-10(11)9-6-8(9)7-4-3-5-7/h6-7,9H,2-5H2,1H3
InChIKeyFEBMNBWTNRQRKR-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds3

About ethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate

ethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate (PubChem CID 122219635) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is ethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate
PubChem CID122219635
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Nameethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)C1C=C1C1CCC1
InChIInChI=1S/C10H14O2/c1-2-12-10(11)9-6-8(9)7-4-3-5-7/h6-7,9H,2-5H2,1H3
InChIKeyFEBMNBWTNRQRKR-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
ethyl (1R,6S,7R)-2-hydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 14339029
ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
CID 89296898
ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
CID 22258605
ethyl cyclobutanecarboxylate;formic acid
CID 158508137
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
CID 70420444
ethyl (4R,4aR,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-4-carboxylate
CID 6541014
ethyl 2-cyclobutylbenzoate
CID 106942755
ethyl 2-methylcyclohex-2-ene-1-carboxylate
CID 10397194
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate?
The IUPAC name of ethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate (CID 122219635) is ethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for ethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate is CCOC(=O)C1C=C1C1CCC1.
What is the InChIKey of ethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate?
The InChIKey is FEBMNBWTNRQRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-12-10(11)9-6-8(9)7-4-3-5-7/h6-7,9H,2-5H2,1H3.
What are the key properties of ethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate?
ethyl 2-cyclobutylcycloprop-2-ene-1-carboxylate has a molecular weight of 166.22 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 2-cyclobutylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 122219635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).