1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one

C16H13NO2S — CID 168709956

IUPAC1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H13NO2S/c18-16-8-11(20)9-17(16)10-5-6-15-13(7-10)12-3-1-2-4-14(12)19-15/h1-7,11,20H,8-9H2
InChIKeyRFXVXVRZNIHVNZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.62
Rot. Bonds1

About 1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one

1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one (PubChem CID 168709956) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one
PubChem CID168709956
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H13NO2S/c18-16-8-11(20)9-17(16)10-5-6-15-13(7-10)12-3-1-2-4-14(12)19-15/h1-7,11,20H,8-9H2
InChIKeyRFXVXVRZNIHVNZ-UHFFFAOYSA-N
XLogP3.62
TPSA33.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one
CID 168660701
1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one
CID 168502232
(3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid
CID 94077339
3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1-benzofuran-2-carbonitrile
CID 168710296
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709962
4-oxo-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)chromene-3-carbaldehyde
CID 168709230
S-(1-dibenzofuran-3-yl-5-oxopyrrolidin-3-yl) ethanethioate
CID 168706626
1-(3-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710578
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
CID 168710654
1-(1-oxo-2,3-dihydroinden-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709894
1-(4-propan-2-ylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708079
1-(2,6-dibromo-4-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710389

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one (CID 168709956) is 1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one?
The InChIKey is RFXVXVRZNIHVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c18-16-8-11(20)9-17(16)10-5-6-15-13(7-10)12-3-1-2-4-14(12)19-15/h1-7,11,20H,8-9H2.
What are the key properties of 1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one?
1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one has a molecular weight of 283.35 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168709956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).