furan-2-ylmethyl pent-2-enoate

C10H12O3 — CID 140682231

IUPACfuran-2-ylmethyl pent-2-enoate
SMILESCCC=CC(=O)OCc1ccco1
InChIInChI=1S/C10H12O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h3-7H,2,8H2,1H3
InChIKeySUZBWRJBMSEHIA-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.29
Rot. Bonds4

About furan-2-ylmethyl pent-2-enoate

furan-2-ylmethyl pent-2-enoate (PubChem CID 140682231) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is furan-2-ylmethyl pent-2-enoate.

Molecular Properties

Compound Namefuran-2-ylmethyl pent-2-enoate
PubChem CID140682231
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namefuran-2-ylmethyl pent-2-enoate
SMILESCCC=CC(=O)OCc1ccco1
InChIInChI=1S/C10H12O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h3-7H,2,8H2,1H3
InChIKeySUZBWRJBMSEHIA-UHFFFAOYSA-N
XLogP2.29
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze furan-2-ylmethyl pent-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

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl pent-2-enoate?
The IUPAC name of furan-2-ylmethyl pent-2-enoate (CID 140682231) is furan-2-ylmethyl pent-2-enoate.
What is the SMILES notation for furan-2-ylmethyl pent-2-enoate?
The canonical SMILES for furan-2-ylmethyl pent-2-enoate is CCC=CC(=O)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl pent-2-enoate?
The InChIKey is SUZBWRJBMSEHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h3-7H,2,8H2,1H3.
What are the key properties of furan-2-ylmethyl pent-2-enoate?
furan-2-ylmethyl pent-2-enoate has a molecular weight of 180.20 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl pent-2-enoate is sourced from PubChem (CID 140682231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).