cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

C15H22F3NO — CID 71914980

IUPACcyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCCCC1(C(F)(F)F)CCCN1C(=O)C1CC=CCC1
InChIInChI=1S/C15H22F3NO/c1-2-9-14(15(16,17)18)10-6-11-19(14)13(20)12-7-4-3-5-8-12/h3-4,12H,2,5-11H2,1H3
InChIKeyVJKFHVZYPZLBOS-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.07
Rot. Bonds3

About cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 71914980) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID71914980
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Namecyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCCCC1(C(F)(F)F)CCCN1C(=O)C1CC=CCC1
InChIInChI=1S/C15H22F3NO/c1-2-9-14(15(16,17)18)10-6-11-19(14)13(20)12-7-4-3-5-8-12/h3-4,12H,2,5-11H2,1H3
InChIKeyVJKFHVZYPZLBOS-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 71914980) is cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is CCCC1(C(F)(F)F)CCCN1C(=O)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is VJKFHVZYPZLBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-2-9-14(15(16,17)18)10-6-11-19(14)13(20)12-7-4-3-5-8-12/h3-4,12H,2,5-11H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 289.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71914980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).