3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione

C17H24F3NO3 — CID 161039712

IUPAC3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)NC(=O)C1C1C2CC(CC(C)(O)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C17H24F3NO3/c1-7-11-5-9(4-10(11)6-16(3,24)17(18,19)20)12(7)13-8(2)14(22)21-15(13)23/h7-13,24H,4-6H2,1-3H3,(H,21,22,23)
InChIKeyVVNPFRKCQJNTCS-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.51
Rot. Bonds3

About 3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione

3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione (PubChem CID 161039712) has the molecular formula C17H24F3NO3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione
PubChem CID161039712
Molecular FormulaC17H24F3NO3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)NC(=O)C1C1C2CC(CC(C)(O)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C17H24F3NO3/c1-7-11-5-9(4-10(11)6-16(3,24)17(18,19)20)12(7)13-8(2)14(22)21-15(13)23/h7-13,24H,4-6H2,1-3H3,(H,21,22,23)
InChIKeyVVNPFRKCQJNTCS-UHFFFAOYSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione (CID 161039712) is 3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione is CC1C(=O)NC(=O)C1C1C2CC(CC(C)(O)C(F)(F)F)C(C2)C1C.
What is the InChIKey of 3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione?
The InChIKey is VVNPFRKCQJNTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO3/c1-7-11-5-9(4-10(11)6-16(3,24)17(18,19)20)12(7)13-8(2)14(22)21-15(13)23/h7-13,24H,4-6H2,1-3H3,(H,21,22,23).
What are the key properties of 3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione?
3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione has a molecular weight of 347.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-methyl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 161039712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).