1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one

C10H15F3N2O — CID 99822359

IUPAC1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one
SMILESN[C@@H]1CC[C@H]2CN(C(=O)CC(F)(F)F)C[C@@H]21
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)3-9(16)15-4-6-1-2-8(14)7(6)5-15/h6-8H,1-5,14H2/t6-,7-,8+/m0/s1
InChIKeyLHJWXPGDHRRWHU-BIIVOSGPSA-N
MW236.24 g/mol
LogP1.13
Rot. Bonds1

About 1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one

1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one (PubChem CID 99822359) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one
PubChem CID99822359
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one
SMILESN[C@@H]1CC[C@H]2CN(C(=O)CC(F)(F)F)C[C@@H]21
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)3-9(16)15-4-6-1-2-8(14)7(6)5-15/h6-8H,1-5,14H2/t6-,7-,8+/m0/s1
InChIKeyLHJWXPGDHRRWHU-BIIVOSGPSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one (CID 99822359) is 1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one is N[C@@H]1CC[C@H]2CN(C(=O)CC(F)(F)F)C[C@@H]21.
What is the InChIKey of 1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one?
The InChIKey is LHJWXPGDHRRWHU-BIIVOSGPSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)3-9(16)15-4-6-1-2-8(14)7(6)5-15/h6-8H,1-5,14H2/t6-,7-,8+/m0/s1.
What are the key properties of 1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one?
1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one has a molecular weight of 236.24 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 99822359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).