6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

C15H17F3N2O3 — CID 164633486

IUPAC6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESC[C@H]1[C@@H](C(F)(F)F)OCCN1C(=O)c1ccc(C2CC2)[nH]c1=O
InChIInChI=1S/C15H17F3N2O3/c1-8-12(15(16,17)18)23-7-6-20(8)14(22)10-4-5-11(9-2-3-9)19-13(10)21/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,19,21)/t8-,12-/m0/s1
InChIKeyBVBKJJPOBYWAIA-UFBFGSQYSA-N
MW330.31 g/mol
LogP2.04
Rot. Bonds2

About 6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 164633486) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID164633486
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESC[C@H]1[C@@H](C(F)(F)F)OCCN1C(=O)c1ccc(C2CC2)[nH]c1=O
InChIInChI=1S/C15H17F3N2O3/c1-8-12(15(16,17)18)23-7-6-20(8)14(22)10-4-5-11(9-2-3-9)19-13(10)21/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,19,21)/t8-,12-/m0/s1
InChIKeyBVBKJJPOBYWAIA-UFBFGSQYSA-N
XLogP2.04
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one 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 6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (CID 164633486) is 6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is C[C@H]1[C@@H](C(F)(F)F)OCCN1C(=O)c1ccc(C2CC2)[nH]c1=O.
What is the InChIKey of 6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is BVBKJJPOBYWAIA-UFBFGSQYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-8-12(15(16,17)18)23-7-6-20(8)14(22)10-4-5-11(9-2-3-9)19-13(10)21/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,19,21)/t8-,12-/m0/s1.
What are the key properties of 6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 330.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 164633486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).