5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione

C15H16F2N2O2 — CID 80747330

IUPAC5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCN2CCCC2)c2cc(F)c(F)cc21
InChIInChI=1S/C15H16F2N2O2/c16-11-8-10-13(9-12(11)17)19(15(21)14(10)20)7-3-6-18-4-1-2-5-18/h8-9H,1-7H2
InChIKeyNRSIAPAXUBXENF-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.98
Rot. Bonds4

About 5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione

5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione (PubChem CID 80747330) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione.

Molecular Properties

Compound Name5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione
PubChem CID80747330
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCN2CCCC2)c2cc(F)c(F)cc21
InChIInChI=1S/C15H16F2N2O2/c16-11-8-10-13(9-12(11)17)19(15(21)14(10)20)7-3-6-18-4-1-2-5-18/h8-9H,1-7H2
InChIKeyNRSIAPAXUBXENF-UHFFFAOYSA-N
XLogP1.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.98
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 5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione?
The IUPAC name of 5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione (CID 80747330) is 5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione.
What is the SMILES notation for 5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione?
The canonical SMILES for 5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione is O=C1C(=O)N(CCCN2CCCC2)c2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione?
The InChIKey is NRSIAPAXUBXENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c16-11-8-10-13(9-12(11)17)19(15(21)14(10)20)7-3-6-18-4-1-2-5-18/h8-9H,1-7H2.
What are the key properties of 5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione?
5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione has a molecular weight of 294.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione is sourced from PubChem (CID 80747330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).