1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one

C22H24F2N2O2 — CID 118415451

IUPAC1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CCN(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O
InChIInChI=1S/C22H24F2N2O2/c1-13(2)17-7-8-25(22(17)28)11-16(27)12-26-20-5-3-14(23)9-18(20)19-10-15(24)4-6-21(19)26/h3-6,9-10,13,16-17,27H,7-8,11-12H2,1-2H3
InChIKeyOLSQVYPFVYZCSC-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.94
Rot. Bonds5

About 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one

1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one (PubChem CID 118415451) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one
PubChem CID118415451
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CCN(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O
InChIInChI=1S/C22H24F2N2O2/c1-13(2)17-7-8-25(22(17)28)11-16(27)12-26-20-5-3-14(23)9-18(20)19-10-15(24)4-6-21(19)26/h3-6,9-10,13,16-17,27H,7-8,11-12H2,1-2H3
InChIKeyOLSQVYPFVYZCSC-UHFFFAOYSA-N
XLogP3.94
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one (CID 118415451) is 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one is CC(C)C1CCN(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O.
What is the InChIKey of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is OLSQVYPFVYZCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-13(2)17-7-8-25(22(17)28)11-16(27)12-26-20-5-3-14(23)9-18(20)19-10-15(24)4-6-21(19)26/h3-6,9-10,13,16-17,27H,7-8,11-12H2,1-2H3.
What are the key properties of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one?
1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 386.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 118415451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).