(3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one

C20H22N2O2 — CID 135134139

IUPAC(3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one
SMILESC[C@H]1CCN(CC(O)Cn2c3ccccc3c3ccccc32)C1=O
InChIInChI=1S/C20H22N2O2/c1-14-10-11-21(20(14)24)12-15(23)13-22-18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-9,14-15,23H,10-13H2,1H3/t14-,15?/m0/s1
InChIKeyJUUZIXYXFNSICX-MLCCFXAWSA-N
MW322.41 g/mol
LogP3.02
Rot. Bonds4

About (3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one

(3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one (PubChem CID 135134139) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one
PubChem CID135134139
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one
SMILESC[C@H]1CCN(CC(O)Cn2c3ccccc3c3ccccc32)C1=O
InChIInChI=1S/C20H22N2O2/c1-14-10-11-21(20(14)24)12-15(23)13-22-18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-9,14-15,23H,10-13H2,1H3/t14-,15?/m0/s1
InChIKeyJUUZIXYXFNSICX-MLCCFXAWSA-N
XLogP3.02
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one
CID 118423656
(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
CID 118415383
(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 1202455
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-carbazol-9-yl-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 86879291
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
(2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 6973791
10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one
CID 44590277
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
1-(3-carbazol-9-yl-2-hydroxypropyl)-3-hydroxypyrrolidine-3-carboxamide
CID 155945861
1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one
CID 104680358

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one?
The IUPAC name of (3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one (CID 135134139) is (3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one is C[C@H]1CCN(CC(O)Cn2c3ccccc3c3ccccc32)C1=O.
What is the InChIKey of (3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one?
The InChIKey is JUUZIXYXFNSICX-MLCCFXAWSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-10-11-21(20(14)24)12-15(23)13-22-18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-9,14-15,23H,10-13H2,1H3/t14-,15?/m0/s1.
What are the key properties of (3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one?
(3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one has a molecular weight of 322.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 135134139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).