1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one

C13H15NO2 — CID 62233014

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
SMILESO=C1CCN(CC2Cc3ccccc3O2)C1
InChIInChI=1S/C13H15NO2/c15-11-5-6-14(8-11)9-12-7-10-3-1-2-4-13(10)16-12/h1-4,12H,5-9H2
InChIKeyATXOTEZITZBUHH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.26
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one (PubChem CID 62233014) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
PubChem CID62233014
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
SMILESO=C1CCN(CC2Cc3ccccc3O2)C1
InChIInChI=1S/C13H15NO2/c15-11-5-6-14(8-11)9-12-7-10-3-1-2-4-13(10)16-12/h1-4,12H,5-9H2
InChIKeyATXOTEZITZBUHH-UHFFFAOYSA-N
XLogP1.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524219
N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
CID 66365727
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 80675136
8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738570
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid
CID 66364000
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one
CID 99610232
1-(2-chloroethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 66364035
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 80667627
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile
CID 66364745

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one (CID 62233014) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one is O=C1CCN(CC2Cc3ccccc3O2)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one?
The InChIKey is ATXOTEZITZBUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-11-5-6-14(8-11)9-12-7-10-3-1-2-4-13(10)16-12/h1-4,12H,5-9H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one is sourced from PubChem (CID 62233014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).