1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione

C17H26F3NO2 — CID 144997520

IUPAC1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione
SMILESC=C(C)[C@@H](CCCCCN1C(=O)CC(CCC)C1=O)C(F)(F)F
InChIInChI=1S/C17H26F3NO2/c1-4-8-13-11-15(22)21(16(13)23)10-7-5-6-9-14(12(2)3)17(18,19)20/h13-14H,2,4-11H2,1,3H3/t13?,14-/m1/s1
InChIKeyCSEXYHYBKDNFHQ-ARLHGKGLSA-N
MW333.39 g/mol
LogP4.48
Rot. Bonds9

About 1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione

1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione (PubChem CID 144997520) has the molecular formula C17H26F3NO2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione
PubChem CID144997520
Molecular FormulaC17H26F3NO2
Molecular Weight333.39 g/mol
Exact Mass333.19
IUPAC Name1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione
SMILESC=C(C)[C@@H](CCCCCN1C(=O)CC(CCC)C1=O)C(F)(F)F
InChIInChI=1S/C17H26F3NO2/c1-4-8-13-11-15(22)21(16(13)23)10-7-5-6-9-14(12(2)3)17(18,19)20/h13-14H,2,4-11H2,1,3H3/t13?,14-/m1/s1
InChIKeyCSEXYHYBKDNFHQ-ARLHGKGLSA-N
XLogP4.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione (CID 144997520) is 1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione is C=C(C)[C@@H](CCCCCN1C(=O)CC(CCC)C1=O)C(F)(F)F.
What is the InChIKey of 1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione?
The InChIKey is CSEXYHYBKDNFHQ-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H26F3NO2/c1-4-8-13-11-15(22)21(16(13)23)10-7-5-6-9-14(12(2)3)17(18,19)20/h13-14H,2,4-11H2,1,3H3/t13?,14-/m1/s1.
What are the key properties of 1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione?
1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione has a molecular weight of 333.39 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-7-methyl-6-(trifluoromethyl)oct-7-enyl]-3-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 144997520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).