1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone

C14H19F3N2O2 — CID 110867880

IUPAC1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCCN1C(=O)C(F)(F)F)N1CC2CCCC2C1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)13(21)19-6-2-5-11(19)12(20)18-7-9-3-1-4-10(9)8-18/h9-11H,1-8H2
InChIKeyHSAJFKDHSVBMMR-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.80
Rot. Bonds1

About 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone

1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 110867880) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID110867880
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCCN1C(=O)C(F)(F)F)N1CC2CCCC2C1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)13(21)19-6-2-5-11(19)12(20)18-7-9-3-1-4-10(9)8-18/h9-11H,1-8H2
InChIKeyHSAJFKDHSVBMMR-UHFFFAOYSA-N
XLogP1.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

1-[2-(3,4-dimethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 110869148
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695
1-[2-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)piperidin-1-yl]propan-1-one
CID 71924100
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
2,2,2-trifluoro-1-[2-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110346944
N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343831
2,2,2-trifluoro-1-[2-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110398752
2,2,2-trifluoro-1-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110343907
1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 110343894
1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 126835765

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone (CID 110867880) is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone is O=C(C1CCCN1C(=O)C(F)(F)F)N1CC2CCCC2C1.
What is the InChIKey of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is HSAJFKDHSVBMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-14(16,17)13(21)19-6-2-5-11(19)12(20)18-7-9-3-1-4-10(9)8-18/h9-11H,1-8H2.
What are the key properties of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 304.31 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 110867880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).