prop-2-enyl furan-3-carboxylate

C8H8O3 — CID 45090099

IUPACprop-2-enyl furan-3-carboxylate
SMILESC=CCOC(=O)c1ccoc1
InChIInChI=1S/C8H8O3/c1-2-4-11-8(9)7-3-5-10-6-7/h2-3,5-6H,1,4H2
InChIKeyJYDUJKIYJGPCEG-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.62
Rot. Bonds3

About prop-2-enyl furan-3-carboxylate

prop-2-enyl furan-3-carboxylate (PubChem CID 45090099) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is prop-2-enyl furan-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl furan-3-carboxylate
PubChem CID45090099
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Nameprop-2-enyl furan-3-carboxylate
SMILESC=CCOC(=O)c1ccoc1
InChIInChI=1S/C8H8O3/c1-2-4-11-8(9)7-3-5-10-6-7/h2-3,5-6H,1,4H2
InChIKeyJYDUJKIYJGPCEG-UHFFFAOYSA-N
XLogP1.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enyl 4-(4-prop-2-enoxycarbonylbenzoyl)benzoate
CID 118619511
ethyl furan-3-carboxylate;furan-3-carboxylic acid
CID 158096971
4-prop-2-enoxycarbonylbenzoic acid
CID 18349855
benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
CID 175510564
prop-2-enyl 4-(aminomethoxy)benzoate
CID 156663143
formic acid;prop-2-enyl benzoate
CID 174813743
4,4,4-trifluorobutyl furan-3-carboxylate
CID 86781454
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate
CID 18102825
prop-2-enyl 4-(4-bromophenyl)benzoate
CID 67763944
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
prop-2-enyl pyrimidine-5-carboxylate
CID 67459834
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl furan-3-carboxylate?
The IUPAC name of prop-2-enyl furan-3-carboxylate (CID 45090099) is prop-2-enyl furan-3-carboxylate.
What is the SMILES notation for prop-2-enyl furan-3-carboxylate?
The canonical SMILES for prop-2-enyl furan-3-carboxylate is C=CCOC(=O)c1ccoc1.
What is the InChIKey of prop-2-enyl furan-3-carboxylate?
The InChIKey is JYDUJKIYJGPCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-2-4-11-8(9)7-3-5-10-6-7/h2-3,5-6H,1,4H2.
What are the key properties of prop-2-enyl furan-3-carboxylate?
prop-2-enyl furan-3-carboxylate has a molecular weight of 152.15 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl furan-3-carboxylate is sourced from PubChem (CID 45090099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).