(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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Related Compounds

(3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one
CID 135134139
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
CID 118415383
2-(3-carbazol-9-yl-2-hydroxypropyl)isoindole-1,3-dione
CID 2851792
2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione
CID 991448
(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 1202455
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
1-carbazol-9-yl-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 86879291
1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol
CID 112826175
10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one
CID 44590277
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332

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).