6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione

C17H15FN2O2S — CID 9279158

IUPAC6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCC[C@@H]2c2cccs2)c2cc(F)ccc21
InChIInChI=1S/C17H15FN2O2S/c18-11-5-6-12-14(9-11)20(17(22)16(12)21)10-19-7-1-3-13(19)15-4-2-8-23-15/h2,4-6,8-9,13H,1,3,7,10H2/t13-/m1/s1
InChIKeySCJZGEAZIWRZGT-CYBMUJFWSA-N
MW330.38 g/mol
LogP3.21
Rot. Bonds3

About 6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione

6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione (PubChem CID 9279158) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione
PubChem CID9279158
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCC[C@@H]2c2cccs2)c2cc(F)ccc21
InChIInChI=1S/C17H15FN2O2S/c18-11-5-6-12-14(9-11)20(17(22)16(12)21)10-19-7-1-3-13(19)15-4-2-8-23-15/h2,4-6,8-9,13H,1,3,7,10H2/t13-/m1/s1
InChIKeySCJZGEAZIWRZGT-CYBMUJFWSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione?
The IUPAC name of 6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione (CID 9279158) is 6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione?
The canonical SMILES for 6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione is O=C1C(=O)N(CN2CCC[C@@H]2c2cccs2)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione?
The InChIKey is SCJZGEAZIWRZGT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c18-11-5-6-12-14(9-11)20(17(22)16(12)21)10-19-7-1-3-13(19)15-4-2-8-23-15/h2,4-6,8-9,13H,1,3,7,10H2/t13-/m1/s1.
What are the key properties of 6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione?
6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione has a molecular weight of 330.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 9279158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).