3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal

C11H10O3 — CID 116821577

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
SMILESO=CCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C11H10O3/c12-5-3-10(13)8-1-2-11-9(7-8)4-6-14-11/h1-2,5,7H,3-4,6H2
InChIKeyIZADCKDEHUPILM-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.39
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal

3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal (PubChem CID 116821577) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
PubChem CID116821577
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
SMILESO=CCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C11H10O3/c12-5-3-10(13)8-1-2-11-9(7-8)4-6-14-11/h1-2,5,7H,3-4,6H2
InChIKeyIZADCKDEHUPILM-UHFFFAOYSA-N
XLogP1.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone
CID 116562848
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,4-oxathian-4-ium-4-yl)ethanone
CID 154010141
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
2-anilino-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 116555381
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone
CID 116591564
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one
CID 103458963
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79188551

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal (CID 116821577) is 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal is O=CCC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal?
The InChIKey is IZADCKDEHUPILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-5-3-10(13)8-1-2-11-9(7-8)4-6-14-11/h1-2,5,7H,3-4,6H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal?
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal has a molecular weight of 190.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal is sourced from PubChem (CID 116821577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).