7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one

C13H15FN2O — CID 105494319

IUPAC7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
SMILESO=C1Cc2cccc(F)c2N1CC1CCCN1
InChIInChI=1S/C13H15FN2O/c14-11-5-1-3-9-7-12(17)16(13(9)11)8-10-4-2-6-15-10/h1,3,5,10,15H,2,4,6-8H2
InChIKeyAOFHFTKDMXZJFF-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.47
Rot. Bonds2

About 7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one

7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one (PubChem CID 105494319) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
PubChem CID105494319
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
SMILESO=C1Cc2cccc(F)c2N1CC1CCCN1
InChIInChI=1S/C13H15FN2O/c14-11-5-1-3-9-7-12(17)16(13(9)11)8-10-4-2-6-15-10/h1,3,5,10,15H,2,4,6-8H2
InChIKeyAOFHFTKDMXZJFF-UHFFFAOYSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one?
The IUPAC name of 7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one (CID 105494319) is 7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one.
What is the SMILES notation for 7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one?
The canonical SMILES for 7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one is O=C1Cc2cccc(F)c2N1CC1CCCN1.
What is the InChIKey of 7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one?
The InChIKey is AOFHFTKDMXZJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-11-5-1-3-9-7-12(17)16(13(9)11)8-10-4-2-6-15-10/h1,3,5,10,15H,2,4,6-8H2.
What are the key properties of 7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one?
7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one has a molecular weight of 234.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one is sourced from PubChem (CID 105494319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).