1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone

C10H15F3N2O — CID 164655788

IUPAC1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone
SMILESNC[C@]12CCC[C@H]1CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8(16)15-4-7-2-1-3-9(7,5-14)6-15/h7H,1-6,14H2/t7-,9-/m0/s1
InChIKeyFVMNBSUCSFKYOS-CBAPKCEASA-N
MW236.24 g/mol
LogP1.14
Rot. Bonds1

About 1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone

1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone (PubChem CID 164655788) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone
PubChem CID164655788
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone
SMILESNC[C@]12CCC[C@H]1CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8(16)15-4-7-2-1-3-9(7,5-14)6-15/h7H,1-6,14H2/t7-,9-/m0/s1
InChIKeyFVMNBSUCSFKYOS-CBAPKCEASA-N
XLogP1.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]prop-2-yn-1-one
CID 130597868
1-[(3aR,7aR)-7a-(hydroxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]-2-aminoethanone
CID 129497799
(2-ethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanamine
CID 130591816
2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one
CID 167860986
(2S)-1-[(3aR,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-chloropropan-1-one
CID 129497664
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 95013458
[3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(azetidin-3-yl)methanone
CID 121204364
[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 97421375
(3aS,6aR)-2-(2,2,3,3-tetrafluoropropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682356
(2-but-2-ynyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanamine
CID 130597894
2-[[(3aS,6aS)-2-cyclopentyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 127022029
2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone
CID 10728323

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone (CID 164655788) is 1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone is NC[C@]12CCC[C@H]1CN(C(=O)C(F)(F)F)C2.
What is the InChIKey of 1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone?
The InChIKey is FVMNBSUCSFKYOS-CBAPKCEASA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)8(16)15-4-7-2-1-3-9(7,5-14)6-15/h7H,1-6,14H2/t7-,9-/m0/s1.
What are the key properties of 1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone?
1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone has a molecular weight of 236.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 164655788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).