N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H16F3N3O — CID 55227655

IUPACN-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCC(CC#N)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H16F3N3O/c1-2-8(3-5-15)17-9(18)10(11(12,13)14)4-6-16-7-10/h8,16H,2-4,6-7H2,1H3,(H,17,18)
InChIKeyZXJPONWAJOLVDY-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.34
Rot. Bonds4

About N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227655) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227655
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCC(CC#N)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H16F3N3O/c1-2-8(3-5-15)17-9(18)10(11(12,13)14)4-6-16-7-10/h8,16H,2-4,6-7H2,1H3,(H,17,18)
InChIKeyZXJPONWAJOLVDY-UHFFFAOYSA-N
XLogP1.34
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide 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 N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227655) is N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCC(CC#N)NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZXJPONWAJOLVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-8(3-5-15)17-9(18)10(11(12,13)14)4-6-16-7-10/h8,16H,2-4,6-7H2,1H3,(H,17,18).
What are the key properties of N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).