methyl (E)-3-(furan-3-yl)prop-2-enoate

C8H8O3 — CID 10441877

IUPACmethyl (E)-3-(furan-3-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccoc1
InChIInChI=1S/C8H8O3/c1-10-8(9)3-2-7-4-5-11-6-7/h2-6H,1H3/b3-2+
InChIKeyYSEPQVJFPCCWII-NSCUHMNNSA-N
MW152.15 g/mol
LogP1.47
Rot. Bonds2

About methyl (E)-3-(furan-3-yl)prop-2-enoate

methyl (E)-3-(furan-3-yl)prop-2-enoate (PubChem CID 10441877) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is methyl (E)-3-(furan-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(furan-3-yl)prop-2-enoate
PubChem CID10441877
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Namemethyl (E)-3-(furan-3-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccoc1
InChIInChI=1S/C8H8O3/c1-10-8(9)3-2-7-4-5-11-6-7/h2-6H,1H3/b3-2+
InChIKeyYSEPQVJFPCCWII-NSCUHMNNSA-N
XLogP1.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-3-(furan-3-yl)prop-2-enoate 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

(dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate
CID 122223998
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
sodium (2Z,4E)-5-(furan-3-yl)-3-methylpenta-2,4-dienoic acid
CID 126478041
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate
CID 102437216
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate
CID 5377244
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830
methyl (E)-3-(3,4-dinitrosophenyl)prop-2-enoate
CID 88910633

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(furan-3-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(furan-3-yl)prop-2-enoate (CID 10441877) is methyl (E)-3-(furan-3-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(furan-3-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(furan-3-yl)prop-2-enoate is COC(=O)/C=C/c1ccoc1.
What is the InChIKey of methyl (E)-3-(furan-3-yl)prop-2-enoate?
The InChIKey is YSEPQVJFPCCWII-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H8O3/c1-10-8(9)3-2-7-4-5-11-6-7/h2-6H,1H3/b3-2+.
What are the key properties of methyl (E)-3-(furan-3-yl)prop-2-enoate?
methyl (E)-3-(furan-3-yl)prop-2-enoate has a molecular weight of 152.15 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(furan-3-yl)prop-2-enoate is sourced from PubChem (CID 10441877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).