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

C11H14O3 — CID 102600250

IUPACethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate
SMILESC=CCC1(C(=O)OCC)C=CC(=C)O1
InChIInChI=1S/C11H14O3/c1-4-7-11(10(12)13-5-2)8-6-9(3)14-11/h4,6,8H,1,3,5,7H2,2H3
InChIKeyAIFQTEWPRJQDDZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.96
Rot. Bonds4

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

ethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate (PubChem CID 102600250) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate
PubChem CID102600250
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Nameethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate
SMILESC=CCC1(C(=O)OCC)C=CC(=C)O1
InChIInChI=1S/C11H14O3/c1-4-7-11(10(12)13-5-2)8-6-9(3)14-11/h4,6,8H,1,3,5,7H2,2H3
InChIKeyAIFQTEWPRJQDDZ-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.96
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

methyl 2-(trifluoromethyl)-3,6-dihydro-2H-pyran-2-carboxylate
CID 4920697
ethyl 3,3-difluoro-2-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 86690124
methyl (6S)-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate
CID 7323297
methyl (6R)-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate
CID 7323298
5-ethyl-2H-furan-5-carboxylic acid
CID 12200719
5-prop-2-enyl-2H-furan-5-carboxylic acid
CID 12200721
Qcfbtxzvsarlom-uhfffaoysa-
CID 10487723
Ethyl 6-methyl-2,5-dihydropyran-6-carboxylate
CID 10583282
Butyl 6-prop-2-enyl-2,5-dihydropyran-6-carboxylate
CID 10799171
methyl 5-methyl-2H-furan-5-carboxylate
CID 15128398
1-Ethoxycyclohexa-2,4-diene-1-carboxylic acid
CID 23340214
ethyl 5-methyl-2H-furan-5-carboxylate
CID 58333162

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate?
The IUPAC name of ethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate (CID 102600250) is ethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate.
What is the SMILES notation for ethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate?
The canonical SMILES for ethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate is C=CCC1(C(=O)OCC)C=CC(=C)O1.
What is the InChIKey of ethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate?
The InChIKey is AIFQTEWPRJQDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-7-11(10(12)13-5-2)8-6-9(3)14-11/h4,6,8H,1,3,5,7H2,2H3.
What are the key properties of ethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate?
ethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate is sourced from PubChem (CID 102600250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).