(4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C11H14F3NO2 — CID 145490078

IUPAC(4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1C[C@@H](C(F)(F)F)C2C(=O)N(C)C(=O)C12
InChIInChI=1S/C11H14F3NO2/c1-3-5-4-6(11(12,13)14)8-7(5)9(16)15(2)10(8)17/h5-8H,3-4H2,1-2H3/t5?,6-,7?,8?/m1/s1
InChIKeyUJICHRXQIBAHGT-QQJWGCFSSA-N
MW249.23 g/mol
LogP1.83
Rot. Bonds1

About (4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

(4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 145490078) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is (4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name(4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID145490078
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name(4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1C[C@@H](C(F)(F)F)C2C(=O)N(C)C(=O)C12
InChIInChI=1S/C11H14F3NO2/c1-3-5-4-6(11(12,13)14)8-7(5)9(16)15(2)10(8)17/h5-8H,3-4H2,1-2H3/t5?,6-,7?,8?/m1/s1
InChIKeyUJICHRXQIBAHGT-QQJWGCFSSA-N
XLogP1.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of (4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 145490078) is (4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for (4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for (4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCC1C[C@@H](C(F)(F)F)C2C(=O)N(C)C(=O)C12.
What is the InChIKey of (4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is UJICHRXQIBAHGT-QQJWGCFSSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-3-5-4-6(11(12,13)14)8-7(5)9(16)15(2)10(8)17/h5-8H,3-4H2,1-2H3/t5?,6-,7?,8?/m1/s1.
What are the key properties of (4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
(4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 249.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-ethyl-2-methyl-4-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 145490078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).