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

C14H17NO2 — CID 114747925

IUPAC2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2cccc3c2OCC3)CCCN1
InChIInChI=1S/C14H17NO2/c1-14(7-3-8-15-14)13(16)11-5-2-4-10-6-9-17-12(10)11/h2,4-5,15H,3,6-9H2,1H3
InChIKeyYXHUHHXRYWHTDT-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.95
Rot. Bonds2

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

2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 114747925) 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-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone
PubChem CID114747925
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2cccc3c2OCC3)CCCN1
InChIInChI=1S/C14H17NO2/c1-14(7-3-8-15-14)13(16)11-5-2-4-10-6-9-17-12(10)11/h2,4-5,15H,3,6-9H2,1H3
InChIKeyYXHUHHXRYWHTDT-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone
CID 103450262
(4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114748063
[1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114748039
(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613964
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 114748033
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
2,9-diazaspiro[4.5]decan-2-yl(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 56750707
(E)-1-(2,3-dihydro-1-benzofuran-7-yl)but-2-en-1-one
CID 103453398
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone
CID 83895167

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone (CID 114747925) is 2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone is CC1(C(=O)c2cccc3c2OCC3)CCCN1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is YXHUHHXRYWHTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(7-3-8-15-14)13(16)11-5-2-4-10-6-9-17-12(10)11/h2,4-5,15H,3,6-9H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone?
2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 231.29 g/mol, XLogP of 1.95, 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-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 114747925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).