N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H16F3N3O — CID 63721164

IUPACN-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESN#CC1CCCC1NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11(4-5-17-7-11)10(19)18-9-3-1-2-8(9)6-16/h8-9,17H,1-5,7H2,(H,18,19)
InChIKeyYLMRUAXMWKUSOG-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.34
Rot. Bonds2

About N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63721164) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63721164
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESN#CC1CCCC1NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11(4-5-17-7-11)10(19)18-9-3-1-2-8(9)6-16/h8-9,17H,1-5,7H2,(H,18,19)
InChIKeyYLMRUAXMWKUSOG-UHFFFAOYSA-N
XLogP1.34
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63721164) is N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is N#CC1CCCC1NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is YLMRUAXMWKUSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)11(4-5-17-7-11)10(19)18-9-3-1-2-8(9)6-16/h8-9,17H,1-5,7H2,(H,18,19).
What are the key properties of N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63721164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).