2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone

C14H17NO2 — CID 114747881

IUPAC2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)c1cccc2c1OCC2
InChIInChI=1S/C14H17NO2/c1-9-7-15-8-12(9)13(16)11-4-2-3-10-5-6-17-14(10)11/h2-4,9,12,15H,5-8H2,1H3
InChIKeyQKIAOOZQSVBPFY-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.66
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone

2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 114747881) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone
PubChem CID114747881
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)c1cccc2c1OCC2
InChIInChI=1S/C14H17NO2/c1-9-7-15-8-12(9)13(16)11-4-2-3-10-5-6-17-14(10)11/h2-4,9,12,15H,5-8H2,1H3
InChIKeyQKIAOOZQSVBPFY-UHFFFAOYSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one
CID 114748121
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114744176
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 56738321
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one
CID 114748122
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
(E)-1-(2,3-dihydro-1-benzofuran-7-yl)but-2-en-1-one
CID 103453398
2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone
CID 83895167
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747936
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone (CID 114747881) is 2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone is CC1CNCC1C(=O)c1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is QKIAOOZQSVBPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-7-15-8-12(9)13(16)11-4-2-3-10-5-6-17-14(10)11/h2-4,9,12,15H,5-8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone?
2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 231.29 g/mol, XLogP of 1.66, 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-7-yl-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 114747881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).