(3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

C9H13F3N2O — CID 166513724

IUPAC(3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESNC1CCN(C(=O)C2(C(F)(F)F)CC2)C1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)8(2-3-8)7(15)14-4-1-6(13)5-14/h6H,1-5,13H2
InChIKeyLQUXRTXUPKSWDK-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.89
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

(3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 166513724) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID166513724
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name(3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESNC1CCN(C(=O)C2(C(F)(F)F)CC2)C1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)8(2-3-8)7(15)14-4-1-6(13)5-14/h6H,1-5,13H2
InChIKeyLQUXRTXUPKSWDK-UHFFFAOYSA-N
XLogP0.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (CID 166513724) is (3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is NC1CCN(C(=O)C2(C(F)(F)F)CC2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is LQUXRTXUPKSWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)8(2-3-8)7(15)14-4-1-6(13)5-14/h6H,1-5,13H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
(3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 222.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 166513724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).