2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H16F3N3O2 — CID 103195676

IUPAC2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CC2NCCCC2C1=O)NCC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)6-16-9(18)5-17-4-8-7(10(17)19)2-1-3-15-8/h7-8,15H,1-6H2,(H,16,18)
InChIKeyMESBRIZDXGVLPS-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.12
Rot. Bonds3

About 2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103195676) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103195676
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CC2NCCCC2C1=O)NCC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)6-16-9(18)5-17-4-8-7(10(17)19)2-1-3-15-8/h7-8,15H,1-6H2,(H,16,18)
InChIKeyMESBRIZDXGVLPS-UHFFFAOYSA-N
XLogP-0.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide
CID 103195731
2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 168700091
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 168504856
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7043073
2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 80725645
6-(4-methoxybutyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195752
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119737430
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 2663284
2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 112594276
2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3643364
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106616413
6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195974

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 103195676) is 2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CC2NCCCC2C1=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MESBRIZDXGVLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c12-11(13,14)6-16-9(18)5-17-4-8-7(10(17)19)2-1-3-15-8/h7-8,15H,1-6H2,(H,16,18).
What are the key properties of 2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 279.26 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103195676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).