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

C20H20F2N2O2 — CID 118415356

IUPAC1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
SMILESCC1CCN(CC(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
InChIKeyCSNKCLMUMSYGCB-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.30
Rot. Bonds4

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

1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one (PubChem CID 118415356) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
PubChem CID118415356
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
SMILESCC1CCN(CC(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
InChIKeyCSNKCLMUMSYGCB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one (CID 118415356) is 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one is CC1CCN(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O.
What is the InChIKey of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one?
The InChIKey is CSNKCLMUMSYGCB-UHFFFAOYSA-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.
What are the key properties of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one?
1-[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 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 118415356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).