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

C9H10O3 — CID 14227246

IUPAC[(E)-3-(furan-3-yl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccoc1
InChIInChI=1S/C9H10O3/c1-8(10)12-5-2-3-9-4-6-11-7-9/h2-4,6-7H,5H2,1H3/b3-2+
InChIKeyNVSUPEROQYUAPR-NSCUHMNNSA-N
MW166.18 g/mol
LogP1.86
Rot. Bonds3

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

[(E)-3-(furan-3-yl)prop-2-enyl] acetate (PubChem CID 14227246) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is [(E)-3-(furan-3-yl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-(furan-3-yl)prop-2-enyl] acetate
PubChem CID14227246
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name[(E)-3-(furan-3-yl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccoc1
InChIInChI=1S/C9H10O3/c1-8(10)12-5-2-3-9-4-6-11-7-9/h2-4,6-7H,5H2,1H3/b3-2+
InChIKeyNVSUPEROQYUAPR-NSCUHMNNSA-N
XLogP1.86
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(furan-3-yl)prop-2-enyl] acetate?
The IUPAC name of [(E)-3-(furan-3-yl)prop-2-enyl] acetate (CID 14227246) is [(E)-3-(furan-3-yl)prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-(furan-3-yl)prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-(furan-3-yl)prop-2-enyl] acetate is CC(=O)OC/C=C/c1ccoc1.
What is the InChIKey of [(E)-3-(furan-3-yl)prop-2-enyl] acetate?
The InChIKey is NVSUPEROQYUAPR-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H10O3/c1-8(10)12-5-2-3-9-4-6-11-7-9/h2-4,6-7H,5H2,1H3/b3-2+.
What are the key properties of [(E)-3-(furan-3-yl)prop-2-enyl] acetate?
[(E)-3-(furan-3-yl)prop-2-enyl] acetate has a molecular weight of 166.18 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(furan-3-yl)prop-2-enyl] acetate is sourced from PubChem (CID 14227246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).