N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide

C13H21N3O — CID 83071697

IUPACN-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC2CCCC2C#N)CCCN1
InChIInChI=1S/C13H21N3O/c1-2-13(7-4-8-15-13)12(17)16-11-6-3-5-10(11)9-14/h10-11,15H,2-8H2,1H3,(H,16,17)
InChIKeyYHDCGVLCBASOCN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.33
Rot. Bonds3

About N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide

N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83071697) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83071697
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC2CCCC2C#N)CCCN1
InChIInChI=1S/C13H21N3O/c1-2-13(7-4-8-15-13)12(17)16-11-6-3-5-10(11)9-14/h10-11,15H,2-8H2,1H3,(H,16,17)
InChIKeyYHDCGVLCBASOCN-UHFFFAOYSA-N
XLogP1.33
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide (CID 83071697) is N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)NC2CCCC2C#N)CCCN1.
What is the InChIKey of N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is YHDCGVLCBASOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-13(7-4-8-15-13)12(17)16-11-6-3-5-10(11)9-14/h10-11,15H,2-8H2,1H3,(H,16,17).
What are the key properties of N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide?
N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83071697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).