1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone

C13H17NO2 — CID 116562848

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO2/c1-2-6-14-9-12(15)10-3-4-13-11(8-10)5-7-16-13/h3-4,8,14H,2,5-7,9H2,1H3
InChIKeyQGQFSTPAIQYGQN-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.80
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone (PubChem CID 116562848) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone
PubChem CID116562848
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO2/c1-2-6-14-9-12(15)10-3-4-13-11(8-10)5-7-16-13/h3-4,8,14H,2,5-7,9H2,1H3
InChIKeyQGQFSTPAIQYGQN-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone
CID 116591564
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61453131
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
2-anilino-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 116555381
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one
CID 114963747
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 61444799
1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
CID 82493834

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone (CID 116562848) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone is CCCNCC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone?
The InChIKey is QGQFSTPAIQYGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-6-14-9-12(15)10-3-4-13-11(8-10)5-7-16-13/h3-4,8,14H,2,5-7,9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone has a molecular weight of 219.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone is sourced from PubChem (CID 116562848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).