2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C12H17F3N2O2 — CID 103366660

IUPAC2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(CC(CN)C(F)(F)F)C(=O)C2C1
InChIInChI=1S/C12H17F3N2O2/c1-6-2-8-9(3-6)11(19)17(10(8)18)5-7(4-16)12(13,14)15/h6-9H,2-5,16H2,1H3
InChIKeyRCFLNZRSCKBAMU-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.15
Rot. Bonds3

About 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103366660) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103366660
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(CC(CN)C(F)(F)F)C(=O)C2C1
InChIInChI=1S/C12H17F3N2O2/c1-6-2-8-9(3-6)11(19)17(10(8)18)5-7(4-16)12(13,14)15/h6-9H,2-5,16H2,1H3
InChIKeyRCFLNZRSCKBAMU-UHFFFAOYSA-N
XLogP1.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 65893945
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103366661
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103366662
3,3,3-trifluoro-2-[(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]propanenitrile
CID 103368211
2-[(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 103368212
3,3,3-trifluoro-2-[(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]propanethioamide
CID 103369006
2-[(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103369007
2-[(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103369008
2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103979604
2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114384557
5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392412
2-(3-amino-2,2-difluoropropyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392934

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103366660) is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC1CC2C(=O)N(CC(CN)C(F)(F)F)C(=O)C2C1.
What is the InChIKey of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is RCFLNZRSCKBAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-6-2-8-9(3-6)11(19)17(10(8)18)5-7(4-16)12(13,14)15/h6-9H,2-5,16H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 278.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103366660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).