3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one

C17H23NO2 — CID 116608221

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one
SMILESCCC1(C(=O)CCc2ccc3c(c2)CCO3)CCCN1
InChIInChI=1S/C17H23NO2/c1-2-17(9-3-10-18-17)16(19)7-5-13-4-6-15-14(12-13)8-11-20-15/h4,6,12,18H,2-3,5,7-11H2,1H3
InChIKeyGKQHLLSMUFNSEA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.66
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one (PubChem CID 116608221) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one
PubChem CID116608221
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one
SMILESCCC1(C(=O)CCc2ccc3c(c2)CCO3)CCCN1
InChIInChI=1S/C17H23NO2/c1-2-17(9-3-10-18-17)16(19)7-5-13-4-6-15-14(12-13)8-11-20-15/h4,6,12,18H,2-3,5,7-11H2,1H3
InChIKeyGKQHLLSMUFNSEA-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one
CID 116569479
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570041
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhex-4-en-3-one
CID 103455479
1-(cyclopenten-1-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 103447993
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608177
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
CID 79617126
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79426418
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-ethylcyclopentyl)propan-1-ol
CID 115802827
4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one
CID 116559956
3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-diphenylpropanamide
CID 154932181

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one (CID 116608221) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one is CCC1(C(=O)CCc2ccc3c(c2)CCO3)CCCN1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one?
The InChIKey is GKQHLLSMUFNSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-17(9-3-10-18-17)16(19)7-5-13-4-6-15-14(12-13)8-11-20-15/h4,6,12,18H,2-3,5,7-11H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one has a molecular weight of 273.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 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)-1-(2-ethylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 116608221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).