(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one

C20H20F2N2O2 — CID 118415383

IUPAC(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
SMILESC[C@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O
InChIInChI=1S/C20H20F2N2O2/c1-12-6-7-23(20(12)26)10-15(25)11-24-18-4-2-13(21)8-16(18)17-9-14(22)3-5-19(17)24/h2-5,8-9,12,15,25H,6-7,10-11H2,1H3/t12-,15-/m0/s1
InChIKeyCSNKCLMUMSYGCB-WFASDCNBSA-N
MW358.39 g/mol
LogP3.30
Rot. Bonds4

About (3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one

(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one (PubChem CID 118415383) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is (3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
PubChem CID118415383
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
SMILESC[C@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O
InChIInChI=1S/C20H20F2N2O2/c1-12-6-7-23(20(12)26)10-15(25)11-24-18-4-2-13(21)8-16(18)17-9-14(22)3-5-19(17)24/h2-5,8-9,12,15,25H,6-7,10-11H2,1H3/t12-,15-/m0/s1
InChIKeyCSNKCLMUMSYGCB-WFASDCNBSA-N
XLogP3.30
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.30
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-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 118415662
1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one
CID 118415390
(5R)-1-[(2S)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-5-methylpyrrolidin-2-one
CID 118415369
3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,4,4a,5,6,7,8,8a-octahydroquinazolin-2-one
CID 166508322
1-(5-cyclohexyl-1,2,5-thiadiazinan-2-yl)-3-(3,6-difluorocarbazol-9-yl)propan-2-ol
CID 135284887
(3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one
CID 118423656
1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one
CID 118415412
1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 142425581
1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol
CID 135284908
1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 17028209
1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol
CID 72544447

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one?
The IUPAC name of (3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one (CID 118415383) is (3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one is C[C@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O.
What is the InChIKey of (3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one?
The InChIKey is CSNKCLMUMSYGCB-WFASDCNBSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-12-6-7-23(20(12)26)10-15(25)11-24-18-4-2-13(21)8-16(18)17-9-14(22)3-5-19(17)24/h2-5,8-9,12,15,25H,6-7,10-11H2,1H3/t12-,15-/m0/s1.
What are the key properties of (3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one?
(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one has a molecular weight of 358.39 g/mol, XLogP of 3.30, 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-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 118415383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).