(3E)-3-propylidene-2-benzofuran-1-one

C11H10O2 — CID 6259976

IUPAC(3E)-3-propylidene-2-benzofuran-1-one
SMILESCC/C=C1/OC(=O)c2ccccc21
InChIInChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5+
InChIKeyNGSZDVVHIGAMOJ-BJMVGYQFSA-N
MW174.20 g/mol
LogP2.61
Rot. Bonds1

About (3E)-3-propylidene-2-benzofuran-1-one

(3E)-3-propylidene-2-benzofuran-1-one (PubChem CID 6259976) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3E)-3-propylidene-2-benzofuran-1-one.

Molecular Properties

Compound Name(3E)-3-propylidene-2-benzofuran-1-one
PubChem CID6259976
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name(3E)-3-propylidene-2-benzofuran-1-one
SMILESCC/C=C1/OC(=O)c2ccccc21
InChIInChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5+
InChIKeyNGSZDVVHIGAMOJ-BJMVGYQFSA-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

Analyze (3E)-3-propylidene-2-benzofuran-1-one 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 (3E)-3-propylidene-2-benzofuran-1-one?
The IUPAC name of (3E)-3-propylidene-2-benzofuran-1-one (CID 6259976) is (3E)-3-propylidene-2-benzofuran-1-one.
What is the SMILES notation for (3E)-3-propylidene-2-benzofuran-1-one?
The canonical SMILES for (3E)-3-propylidene-2-benzofuran-1-one is CC/C=C1/OC(=O)c2ccccc21.
What is the InChIKey of (3E)-3-propylidene-2-benzofuran-1-one?
The InChIKey is NGSZDVVHIGAMOJ-BJMVGYQFSA-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/b10-5+.
What are the key properties of (3E)-3-propylidene-2-benzofuran-1-one?
(3E)-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 (3E)-3-propylidene-2-benzofuran-1-one is sourced from PubChem (CID 6259976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).