methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate

C9H12O4 — CID 23266343

IUPACmethyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate
SMILESCOC(=O)CC=C1C=CC(OC)O1
InChIInChI=1S/C9H12O4/c1-11-8(10)5-3-7-4-6-9(12-2)13-7/h3-4,6,9H,5H2,1-2H3
InChIKeyRADTZRJDIVKRSS-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.99
Rot. Bonds3

About methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate

methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate (PubChem CID 23266343) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate
PubChem CID23266343
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Namemethyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate
SMILESCOC(=O)CC=C1C=CC(OC)O1
InChIInChI=1S/C9H12O4/c1-11-8(10)5-3-7-4-6-9(12-2)13-7/h3-4,6,9H,5H2,1-2H3
InChIKeyRADTZRJDIVKRSS-UHFFFAOYSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate 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

(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methyl acetate
CID 12809174
ethyl 6H-cyclohepta[d][1,3]dioxole-6-carboxylate
CID 11171802
ethyl 5H-cyclohepta[d][1,3]dioxole-5-carboxylate
CID 14940746
Methyl 5-methoxy-2,5-dihydrofurylideneacetate
CID 129794912
ethyl 2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole-6-carboxylate
CID 166447959
Mycoin propionate
CID 24838301
[(E)-4,5,5-triethoxypent-3-enyl] acetate
CID 44604901
(5-ethoxy-4H-1,3-benzodioxol-5-yl) acetate
CID 67603139
4-(2,2-Dimethyl-1,3-dioxol-4-yl)but-3-enyl acetate
CID 67653771
2-(1-Cyclohexa-1,5-dien-1-yloxypropoxy)ethyl acetate
CID 68076709
[(1R,4R)-4-[[(2S)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-yl] acetate
CID 70607900
[(1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-yl] acetate
CID 70608286

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate?
The IUPAC name of methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate (CID 23266343) is methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate.
What is the SMILES notation for methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate?
The canonical SMILES for methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate is COC(=O)CC=C1C=CC(OC)O1.
What is the InChIKey of methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate?
The InChIKey is RADTZRJDIVKRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-11-8(10)5-3-7-4-6-9(12-2)13-7/h3-4,6,9H,5H2,1-2H3.
What are the key properties of methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate?
methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate has a molecular weight of 184.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-2H-furan-5-ylidene)propanoate is sourced from PubChem (CID 23266343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).