ethyl 1-prop-2-enylcyclopropane-1-carboxylate

C9H14O2 — CID 12619317

IUPACethyl 1-prop-2-enylcyclopropane-1-carboxylate
SMILESC=CCC1(C(=O)OCC)CC1
InChIInChI=1S/C9H14O2/c1-3-5-9(6-7-9)8(10)11-4-2/h3H,1,4-7H2,2H3
InChIKeyCDDXFMWEYMJTPK-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds4

About ethyl 1-prop-2-enylcyclopropane-1-carboxylate

ethyl 1-prop-2-enylcyclopropane-1-carboxylate (PubChem CID 12619317) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethyl 1-prop-2-enylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-prop-2-enylcyclopropane-1-carboxylate
PubChem CID12619317
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethyl 1-prop-2-enylcyclopropane-1-carboxylate
SMILESC=CCC1(C(=O)OCC)CC1
InChIInChI=1S/C9H14O2/c1-3-5-9(6-7-9)8(10)11-4-2/h3H,1,4-7H2,2H3
InChIKeyCDDXFMWEYMJTPK-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-ethyl (1S,2S)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate
CID 10632182
cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate
CID 102361777
ethyl 1-ethenylcyclopropane-1-carboxylate
CID 15179001
methyl 1-prop-2-enylcyclohexane-1-carboxylate
CID 10932067
ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate
CID 155619939
ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 139451395
CID 87276695
CID 87276695
ethyl (1S)-2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 11074660
ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate
CID 134865085
cis-ethyl (1R,2R)-2-hydroxy-1-prop-2-enylcyclohexane-1-carboxylate
CID 101032729
ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate
CID 103439526
ethyl 3-methyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxylate
CID 11769750

Frequently Asked Questions

What is the IUPAC name of ethyl 1-prop-2-enylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-prop-2-enylcyclopropane-1-carboxylate (CID 12619317) is ethyl 1-prop-2-enylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-prop-2-enylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-prop-2-enylcyclopropane-1-carboxylate is C=CCC1(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-prop-2-enylcyclopropane-1-carboxylate?
The InChIKey is CDDXFMWEYMJTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-5-9(6-7-9)8(10)11-4-2/h3H,1,4-7H2,2H3.
What are the key properties of ethyl 1-prop-2-enylcyclopropane-1-carboxylate?
ethyl 1-prop-2-enylcyclopropane-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-prop-2-enylcyclopropane-1-carboxylate is sourced from PubChem (CID 12619317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).