2-(furan-3-yl)propan-2-yl prop-2-enoate

C10H12O3 — CID 58734432

IUPAC2-(furan-3-yl)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C)c1ccoc1
InChIInChI=1S/C10H12O3/c1-4-9(11)13-10(2,3)8-5-6-12-7-8/h4-7H,1H2,2-3H3
InChIKeyXCHRZQTZOQIKQT-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.24
Rot. Bonds3

About 2-(furan-3-yl)propan-2-yl prop-2-enoate

2-(furan-3-yl)propan-2-yl prop-2-enoate (PubChem CID 58734432) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(furan-3-yl)propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name2-(furan-3-yl)propan-2-yl prop-2-enoate
PubChem CID58734432
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(furan-3-yl)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C)c1ccoc1
InChIInChI=1S/C10H12O3/c1-4-9(11)13-10(2,3)8-5-6-12-7-8/h4-7H,1H2,2-3H3
InChIKeyXCHRZQTZOQIKQT-UHFFFAOYSA-N
XLogP2.24
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)propan-2-yl prop-2-enoate?
The IUPAC name of 2-(furan-3-yl)propan-2-yl prop-2-enoate (CID 58734432) is 2-(furan-3-yl)propan-2-yl prop-2-enoate.
What is the SMILES notation for 2-(furan-3-yl)propan-2-yl prop-2-enoate?
The canonical SMILES for 2-(furan-3-yl)propan-2-yl prop-2-enoate is C=CC(=O)OC(C)(C)c1ccoc1.
What is the InChIKey of 2-(furan-3-yl)propan-2-yl prop-2-enoate?
The InChIKey is XCHRZQTZOQIKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-4-9(11)13-10(2,3)8-5-6-12-7-8/h4-7H,1H2,2-3H3.
What are the key properties of 2-(furan-3-yl)propan-2-yl prop-2-enoate?
2-(furan-3-yl)propan-2-yl prop-2-enoate has a molecular weight of 180.20 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)propan-2-yl prop-2-enoate is sourced from PubChem (CID 58734432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).