8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one

C10H14F3NO2 — CID 165162988

IUPAC8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one
SMILESCCC12CCC(=O)N1CC(O)(C(F)(F)F)C2
InChIInChI=1S/C10H14F3NO2/c1-2-8-4-3-7(15)14(8)6-9(16,5-8)10(11,12)13/h16H,2-6H2,1H3
InChIKeySMZJYGCVRQBDGR-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.45
Rot. Bonds1

About 8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one

8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one (PubChem CID 165162988) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one
PubChem CID165162988
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one
SMILESCCC12CCC(=O)N1CC(O)(C(F)(F)F)C2
InChIInChI=1S/C10H14F3NO2/c1-2-8-4-3-7(15)14(8)6-9(16,5-8)10(11,12)13/h16H,2-6H2,1H3
InChIKeySMZJYGCVRQBDGR-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one?
The IUPAC name of 8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one (CID 165162988) is 8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one.
What is the SMILES notation for 8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one?
The canonical SMILES for 8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one is CCC12CCC(=O)N1CC(O)(C(F)(F)F)C2.
What is the InChIKey of 8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one?
The InChIKey is SMZJYGCVRQBDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c1-2-8-4-3-7(15)14(8)6-9(16,5-8)10(11,12)13/h16H,2-6H2,1H3.
What are the key properties of 8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one?
8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one has a molecular weight of 237.22 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 165162988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).