ethyl 5-prop-2-enylfuran-2-carboxylate

C10H12O3 — CID 15418368

IUPACethyl 5-prop-2-enylfuran-2-carboxylate
SMILESC=CCc1ccc(C(=O)OCC)o1
InChIInChI=1S/C10H12O3/c1-3-5-8-6-7-9(13-8)10(11)12-4-2/h3,6-7H,1,4-5H2,2H3
InChIKeyUOJDPLDLGUICBU-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.18
Rot. Bonds4

About ethyl 5-prop-2-enylfuran-2-carboxylate

ethyl 5-prop-2-enylfuran-2-carboxylate (PubChem CID 15418368) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is ethyl 5-prop-2-enylfuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-prop-2-enylfuran-2-carboxylate
PubChem CID15418368
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Nameethyl 5-prop-2-enylfuran-2-carboxylate
SMILESC=CCc1ccc(C(=O)OCC)o1
InChIInChI=1S/C10H12O3/c1-3-5-8-6-7-9(13-8)10(11)12-4-2/h3,6-7H,1,4-5H2,2H3
InChIKeyUOJDPLDLGUICBU-UHFFFAOYSA-N
XLogP2.18
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083
3-[(5-ethoxycarbonylfuran-2-yl)methyl]pentan-3-ylazanium
CID 22299463
ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282
ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate
CID 146010161
ethyl 5-[(4-methylmorpholin-4-ium-4-yl)methyl]furan-2-carboxylate
CID 948709
ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate
CID 10017085
ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
CID 115904417
bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid
CID 159863947
ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate
CID 28913574
zinc;ethyl 5-methanidylfuran-2-carboxylate;chloride
CID 57349193
ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate
CID 139792622
tetrakis(ethyl 5-[2-oxo-2-(2,3,4-trihydroxyphenyl)ethyl]furan-2-carboxylate);hydrate
CID 170907840

Frequently Asked Questions

What is the IUPAC name of ethyl 5-prop-2-enylfuran-2-carboxylate?
The IUPAC name of ethyl 5-prop-2-enylfuran-2-carboxylate (CID 15418368) is ethyl 5-prop-2-enylfuran-2-carboxylate.
What is the SMILES notation for ethyl 5-prop-2-enylfuran-2-carboxylate?
The canonical SMILES for ethyl 5-prop-2-enylfuran-2-carboxylate is C=CCc1ccc(C(=O)OCC)o1.
What is the InChIKey of ethyl 5-prop-2-enylfuran-2-carboxylate?
The InChIKey is UOJDPLDLGUICBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-5-8-6-7-9(13-8)10(11)12-4-2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of ethyl 5-prop-2-enylfuran-2-carboxylate?
ethyl 5-prop-2-enylfuran-2-carboxylate has a molecular weight of 180.20 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-prop-2-enylfuran-2-carboxylate is sourced from PubChem (CID 15418368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).