1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione

C10H15F3N2O2 — CID 103366612

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC(CN)C(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N2O2/c1-9(2)3-7(16)15(8(9)17)5-6(4-14)10(11,12)13/h6H,3-5,14H2,1-2H3
InChIKeyPZMRRBJIPFEZRE-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.91
Rot. Bonds3

About 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 103366612) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID103366612
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC(CN)C(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N2O2/c1-9(2)3-7(16)15(8(9)17)5-6(4-14)10(11,12)13/h6H,3-5,14H2,1-2H3
InChIKeyPZMRRBJIPFEZRE-UHFFFAOYSA-N
XLogP0.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301564
1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298071
3,3-dimethyl-1-[2-(methylamino)propyl]pyrrolidine-2,5-dione
CID 65301272
1-(2-amino-2-methylpropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 115303861
1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301274
3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
CID 65301965
1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 106708431
1-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 79040413
1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301823
1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65297333
1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 79360715
4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1,4-benzoxazin-3-one
CID 103366524

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 103366612) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(CC(CN)C(F)(F)F)C1=O.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is PZMRRBJIPFEZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-9(2)3-7(16)15(8(9)17)5-6(4-14)10(11,12)13/h6H,3-5,14H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 252.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 103366612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).