4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one

C12H13NO2 — CID 66107387

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc3c(c2)CCO3)CN1
InChIInChI=1S/C12H13NO2/c14-12-6-10(7-13-12)8-1-2-11-9(5-8)3-4-15-11/h1-2,5,10H,3-4,6-7H2,(H,13,14)
InChIKeyQMKGAOJSILDDMZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.23
Rot. Bonds1

About 4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one

4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one (PubChem CID 66107387) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one
PubChem CID66107387
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc3c(c2)CCO3)CN1
InChIInChI=1S/C12H13NO2/c14-12-6-10(7-13-12)8-1-2-11-9(5-8)3-4-15-11/h1-2,5,10H,3-4,6-7H2,(H,13,14)
InChIKeyQMKGAOJSILDDMZ-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one (CID 66107387) is 4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one is O=C1CC(c2ccc3c(c2)CCO3)CN1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one?
The InChIKey is QMKGAOJSILDDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-12-6-10(7-13-12)8-1-2-11-9(5-8)3-4-15-11/h1-2,5,10H,3-4,6-7H2,(H,13,14).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one?
4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 66107387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).