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

C21H22F2N2O2 — CID 118415428

IUPAC1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-ethylpyrrolidin-2-one
SMILESCCC1CCN(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O
InChIInChI=1S/C21H22F2N2O2/c1-2-13-7-8-24(21(13)27)11-16(26)12-25-19-5-3-14(22)9-17(19)18-10-15(23)4-6-20(18)25/h3-6,9-10,13,16,26H,2,7-8,11-12H2,1H3
InChIKeyBNPWSJFCDRPRGJ-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.69
Rot. Bonds5

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

1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-ethylpyrrolidin-2-one (PubChem CID 118415428) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-ethylpyrrolidin-2-one
PubChem CID118415428
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-ethylpyrrolidin-2-one
SMILESCCC1CCN(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O
InChIInChI=1S/C21H22F2N2O2/c1-2-13-7-8-24(21(13)27)11-16(26)12-25-19-5-3-14(22)9-17(19)18-10-15(23)4-6-20(18)25/h3-6,9-10,13,16,26H,2,7-8,11-12H2,1H3
InChIKeyBNPWSJFCDRPRGJ-UHFFFAOYSA-N
XLogP3.69
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.69
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-ethylpyrrolidin-2-one?
The IUPAC name of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-ethylpyrrolidin-2-one (CID 118415428) is 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-ethylpyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-ethylpyrrolidin-2-one?
The canonical SMILES for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-ethylpyrrolidin-2-one is CCC1CCN(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O.
What is the InChIKey of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-ethylpyrrolidin-2-one?
The InChIKey is BNPWSJFCDRPRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-2-13-7-8-24(21(13)27)11-16(26)12-25-19-5-3-14(22)9-17(19)18-10-15(23)4-6-20(18)25/h3-6,9-10,13,16,26H,2,7-8,11-12H2,1H3.
What are the key properties of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-ethylpyrrolidin-2-one?
1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-ethylpyrrolidin-2-one has a molecular weight of 372.42 g/mol, XLogP of 3.69, 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-ethylpyrrolidin-2-one is sourced from PubChem (CID 118415428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).