(3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one

C19H19FN2O2 — CID 118423656

IUPAC(3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one
SMILESO=C1[C@@H](F)CCN1C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H19FN2O2/c20-16-9-10-21(19(16)24)11-13(23)12-22-17-7-3-1-5-14(17)15-6-2-4-8-18(15)22/h1-8,13,16,23H,9-12H2/t13-,16-/m0/s1
InChIKeyURLWXAVERPIENG-BBRMVZONSA-N
MW326.37 g/mol
LogP2.73
Rot. Bonds4

About (3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one

(3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one (PubChem CID 118423656) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one
PubChem CID118423656
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one
SMILESO=C1[C@@H](F)CCN1C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H19FN2O2/c20-16-9-10-21(19(16)24)11-13(23)12-22-17-7-3-1-5-14(17)15-6-2-4-8-18(15)22/h1-8,13,16,23H,9-12H2/t13-,16-/m0/s1
InChIKeyURLWXAVERPIENG-BBRMVZONSA-N
XLogP2.73
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one?
The IUPAC name of (3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one (CID 118423656) is (3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one.
What is the SMILES notation for (3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one?
The canonical SMILES for (3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one is O=C1[C@@H](F)CCN1C[C@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one?
The InChIKey is URLWXAVERPIENG-BBRMVZONSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-16-9-10-21(19(16)24)11-13(23)12-22-17-7-3-1-5-14(17)15-6-2-4-8-18(15)22/h1-8,13,16,23H,9-12H2/t13-,16-/m0/s1.
What are the key properties of (3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one?
(3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one has a molecular weight of 326.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one is sourced from PubChem (CID 118423656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).