3-propylidene-2-benzofuran-1-one

C11H10O2 — CID 28500

IUPAC3-propylidene-2-benzofuran-1-one
SMILESCCC=C1OC(=O)c2ccccc21
InChIInChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3
InChIKeyNGSZDVVHIGAMOJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.61
Rot. Bonds1

About 3-propylidene-2-benzofuran-1-one

3-propylidene-2-benzofuran-1-one (PubChem CID 28500) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-propylidene-2-benzofuran-1-one.

Molecular Properties

Compound Name3-propylidene-2-benzofuran-1-one
PubChem CID28500
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name3-propylidene-2-benzofuran-1-one
SMILESCCC=C1OC(=O)c2ccccc21
InChIInChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3
InChIKeyNGSZDVVHIGAMOJ-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propylidene-2-benzofuran-1-one?
The IUPAC name of 3-propylidene-2-benzofuran-1-one (CID 28500) is 3-propylidene-2-benzofuran-1-one.
What is the SMILES notation for 3-propylidene-2-benzofuran-1-one?
The canonical SMILES for 3-propylidene-2-benzofuran-1-one is CCC=C1OC(=O)c2ccccc21.
What is the InChIKey of 3-propylidene-2-benzofuran-1-one?
The InChIKey is NGSZDVVHIGAMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3.
What are the key properties of 3-propylidene-2-benzofuran-1-one?
3-propylidene-2-benzofuran-1-one has a molecular weight of 174.20 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylidene-2-benzofuran-1-one is sourced from PubChem (CID 28500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).