2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone

C13H15NO2 — CID 116568338

IUPAC2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)C1CCNC1
InChIInChI=1S/C13H15NO2/c15-13(11-3-5-14-8-11)10-1-2-12-9(7-10)4-6-16-12/h1-2,7,11,14H,3-6,8H2
InChIKeyARYJUKQLIHRBOJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.41
Rot. Bonds2

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

2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone (PubChem CID 116568338) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
PubChem CID116568338
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)C1CCNC1
InChIInChI=1S/C13H15NO2/c15-13(11-3-5-14-8-11)10-1-2-12-9(7-10)4-6-16-12/h1-2,7,11,14H,3-6,8H2
InChIKeyARYJUKQLIHRBOJ-UHFFFAOYSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 171945869
2,3-dihydro-1-benzofuran-5-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945875
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-4-yl)methanone
CID 24688672
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
CID 115159530
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79698342
2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone
CID 116609593
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598214
2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
CID 116918567
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone
CID 62799399
3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892569

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone (CID 116568338) is 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone is O=C(c1ccc2c(c1)CCO2)C1CCNC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone?
The InChIKey is ARYJUKQLIHRBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(11-3-5-14-8-11)10-1-2-12-9(7-10)4-6-16-12/h1-2,7,11,14H,3-6,8H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone?
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone has a molecular weight of 217.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone is sourced from PubChem (CID 116568338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).