2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide

C10H16F3N3O — CID 64850245

IUPAC2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C[C@@H]2CCN[C@@H]2C1)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c11-10(12,13)6-15-9(17)5-16-3-7-1-2-14-8(7)4-16/h7-8,14H,1-6H2,(H,15,17)/t7-,8+/m0/s1
InChIKeyKTUTUEBRRFNRMY-JGVFFNPUSA-N
MW251.25 g/mol
LogP-0.04
Rot. Bonds3

About 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 64850245) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID64850245
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C[C@@H]2CCN[C@@H]2C1)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c11-10(12,13)6-15-9(17)5-16-3-7-1-2-14-8(7)4-16/h7-8,14H,1-6H2,(H,15,17)/t7-,8+/m0/s1
InChIKeyKTUTUEBRRFNRMY-JGVFFNPUSA-N
XLogP-0.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 64850245) is 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1C[C@@H]2CCN[C@@H]2C1)NCC(F)(F)F.
What is the InChIKey of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KTUTUEBRRFNRMY-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16F3N3O/c11-10(12,13)6-15-9(17)5-16-3-7-1-2-14-8(7)4-16/h7-8,14H,1-6H2,(H,15,17)/t7-,8+/m0/s1.
What are the key properties of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 251.25 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 64850245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).