5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione

C15H17FN2O2 — CID 106893809

IUPAC5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
SMILESCc1cc(F)cc2c1N(CCN1CCCC1)C(=O)C2=O
InChIInChI=1S/C15H17FN2O2/c1-10-8-11(16)9-12-13(10)18(15(20)14(12)19)7-6-17-4-2-3-5-17/h8-9H,2-7H2,1H3
InChIKeyUCBZBPSYNVIZLL-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.76
Rot. Bonds3

About 5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione

5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione (PubChem CID 106893809) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
PubChem CID106893809
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
SMILESCc1cc(F)cc2c1N(CCN1CCCC1)C(=O)C2=O
InChIInChI=1S/C15H17FN2O2/c1-10-8-11(16)9-12-13(10)18(15(20)14(12)19)7-6-17-4-2-3-5-17/h8-9H,2-7H2,1H3
InChIKeyUCBZBPSYNVIZLL-UHFFFAOYSA-N
XLogP1.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The IUPAC name of 5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione (CID 106893809) is 5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione.
What is the SMILES notation for 5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The canonical SMILES for 5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione is Cc1cc(F)cc2c1N(CCN1CCCC1)C(=O)C2=O.
What is the InChIKey of 5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The InChIKey is UCBZBPSYNVIZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-8-11(16)9-12-13(10)18(15(20)14(12)19)7-6-17-4-2-3-5-17/h8-9H,2-7H2,1H3.
What are the key properties of 5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione?
5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione has a molecular weight of 276.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione is sourced from PubChem (CID 106893809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).