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

C21H22F2N2O2 — CID 118415770

IUPAC1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)CCN(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O
InChIInChI=1S/C21H22F2N2O2/c1-21(2)7-8-24(20(21)27)11-15(26)12-25-18-5-3-13(22)9-16(18)17-10-14(23)4-6-19(17)25/h3-6,9-10,15,26H,7-8,11-12H2,1-2H3
InChIKeySISNHKBHMNPCGS-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.69
Rot. Bonds4

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

1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidin-2-one (PubChem CID 118415770) 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]-3,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidin-2-one
PubChem CID118415770
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)CCN(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O
InChIInChI=1S/C21H22F2N2O2/c1-21(2)7-8-24(20(21)27)11-15(26)12-25-18-5-3-13(22)9-16(18)17-10-14(23)4-6-19(17)25/h3-6,9-10,15,26H,7-8,11-12H2,1-2H3
InChIKeySISNHKBHMNPCGS-UHFFFAOYSA-N
XLogP3.69
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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]-3,3-dimethylpyrrolidin-2-one?
The IUPAC name of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidin-2-one (CID 118415770) is 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidin-2-one is CC1(C)CCN(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O.
What is the InChIKey of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidin-2-one?
The InChIKey is SISNHKBHMNPCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-21(2)7-8-24(20(21)27)11-15(26)12-25-18-5-3-13(22)9-16(18)17-10-14(23)4-6-19(17)25/h3-6,9-10,15,26H,7-8,11-12H2,1-2H3.
What are the key properties of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidin-2-one?
1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidin-2-one has a molecular weight of 372.42 g/mol, XLogP of 3.69, 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]-3,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 118415770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).