3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

C13H15FN2O — CID 141209093

IUPAC3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1N1CC[C@H](F)C1
InChIInChI=1S/C13H15FN2O/c14-10-5-6-16(8-10)12-7-9-3-1-2-4-11(9)15-13(12)17/h1-4,10,12H,5-8H2,(H,15,17)/t10-,12?/m0/s1
InChIKeyXNNZXVPXLOISFZ-NUHJPDEHSA-N
MW234.27 g/mol
LogP1.59
Rot. Bonds1

About 3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 141209093) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID141209093
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1N1CC[C@H](F)C1
InChIInChI=1S/C13H15FN2O/c14-10-5-6-16(8-10)12-7-9-3-1-2-4-11(9)15-13(12)17/h1-4,10,12H,5-8H2,(H,15,17)/t10-,12?/m0/s1
InChIKeyXNNZXVPXLOISFZ-NUHJPDEHSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 141209093) is 3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2ccccc2CC1N1CC[C@H](F)C1.
What is the InChIKey of 3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XNNZXVPXLOISFZ-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-10-5-6-16(8-10)12-7-9-3-1-2-4-11(9)15-13(12)17/h1-4,10,12H,5-8H2,(H,15,17)/t10-,12?/m0/s1.
What are the key properties of 3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 234.27 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 141209093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).