[(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate

C10H10O3 — CID 164665963

IUPAC[(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate
SMILESC=CC(=O)OC/C=C/c1ccco1
InChIInChI=1S/C10H10O3/c1-2-10(11)13-8-4-6-9-5-3-7-12-9/h2-7H,1,8H2/b6-4+
InChIKeyROCWOVDZDYHVJQ-GQCTYLIASA-N
MW178.19 g/mol
LogP2.02
Rot. Bonds4

About [(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate

[(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate (PubChem CID 164665963) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is [(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate.

Molecular Properties

Compound Name[(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate
PubChem CID164665963
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name[(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate
SMILESC=CC(=O)OC/C=C/c1ccco1
InChIInChI=1S/C10H10O3/c1-2-10(11)13-8-4-6-9-5-3-7-12-9/h2-7H,1,8H2/b6-4+
InChIKeyROCWOVDZDYHVJQ-GQCTYLIASA-N
XLogP2.02
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(E)-3-(furan-2-yl)prop-2-enyl] 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

furan-2-ylmethyl prop-2-enoate;hydron
CID 174819627
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate
CID 54376177
tert-butyl (E)-4-(furan-2-yl)but-3-enoate
CID 102382884
2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate
CID 54353215
2-[(E)-3-[(E)-prop-1-enoxy]prop-1-enyl]furan
CID 46939824
ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate
CID 10976711
(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541
3-phenoxyprop-2-enyl prop-2-enoate
CID 66647302
2-(3-chloroprop-1-enyl)furan
CID 54215427
butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate?
The IUPAC name of [(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate (CID 164665963) is [(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate.
What is the SMILES notation for [(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate?
The canonical SMILES for [(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate is C=CC(=O)OC/C=C/c1ccco1.
What is the InChIKey of [(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate?
The InChIKey is ROCWOVDZDYHVJQ-GQCTYLIASA-N. The full InChI is InChI=1S/C10H10O3/c1-2-10(11)13-8-4-6-9-5-3-7-12-9/h2-7H,1,8H2/b6-4+.
What are the key properties of [(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate?
[(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate has a molecular weight of 178.19 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate is sourced from PubChem (CID 164665963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).