6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one

C15H20FN3O — CID 43203891

IUPAC6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCCCN1CCCC1
InChIInChI=1S/C15H20FN3O/c16-11-4-5-12-13(10-11)18-15(20)14(12)17-6-3-9-19-7-1-2-8-19/h4-5,10,14,17H,1-3,6-9H2,(H,18,20)
InChIKeyCYDWNGVIWQMDSW-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.89
Rot. Bonds5

About 6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one

6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one (PubChem CID 43203891) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one
PubChem CID43203891
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCCCN1CCCC1
InChIInChI=1S/C15H20FN3O/c16-11-4-5-12-13(10-11)18-15(20)14(12)17-6-3-9-19-7-1-2-8-19/h4-5,10,14,17H,1-3,6-9H2,(H,18,20)
InChIKeyCYDWNGVIWQMDSW-UHFFFAOYSA-N
XLogP1.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one (CID 43203891) is 6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one is O=C1Nc2cc(F)ccc2C1NCCCN1CCCC1.
What is the InChIKey of 6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one?
The InChIKey is CYDWNGVIWQMDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-11-4-5-12-13(10-11)18-15(20)14(12)17-6-3-9-19-7-1-2-8-19/h4-5,10,14,17H,1-3,6-9H2,(H,18,20).
What are the key properties of 6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one?
6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one has a molecular weight of 277.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43203891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).