3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C15H23F3N2O2 — CID 75497546

IUPAC3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCCOC1CC(NC2CCN(CC(F)(F)F)C2=O)C12CCC2
InChIInChI=1S/C15H23F3N2O2/c1-2-22-12-8-11(14(12)5-3-6-14)19-10-4-7-20(13(10)21)9-15(16,17)18/h10-12,19H,2-9H2,1H3
InChIKeyHXHHZGOGGIOMGF-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.09
Rot. Bonds5

About 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 75497546) has the molecular formula C15H23F3N2O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID75497546
Molecular FormulaC15H23F3N2O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC Name3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCCOC1CC(NC2CCN(CC(F)(F)F)C2=O)C12CCC2
InChIInChI=1S/C15H23F3N2O2/c1-2-22-12-8-11(14(12)5-3-6-14)19-10-4-7-20(13(10)21)9-15(16,17)18/h10-12,19H,2-9H2,1H3
InChIKeyHXHHZGOGGIOMGF-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 75497546) is 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CCOC1CC(NC2CCN(CC(F)(F)F)C2=O)C12CCC2.
What is the InChIKey of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is HXHHZGOGGIOMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O2/c1-2-22-12-8-11(14(12)5-3-6-14)19-10-4-7-20(13(10)21)9-15(16,17)18/h10-12,19H,2-9H2,1H3.
What are the key properties of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 320.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 75497546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).