N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide

C13H16N2O2 — CID 114103038

IUPACN-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NC1CCCC1C#N
InChIInChI=1S/C13H16N2O2/c1-2-12-10(6-7-17-12)13(16)15-11-5-3-4-9(11)8-14/h6-7,9,11H,2-5H2,1H3,(H,15,16)
InChIKeyLMCOUCJFEMGOFI-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.26
Rot. Bonds3

About N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide

N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide (PubChem CID 114103038) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide
PubChem CID114103038
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NC1CCCC1C#N
InChIInChI=1S/C13H16N2O2/c1-2-12-10(6-7-17-12)13(16)15-11-5-3-4-9(11)8-14/h6-7,9,11H,2-5H2,1H3,(H,15,16)
InChIKeyLMCOUCJFEMGOFI-UHFFFAOYSA-N
XLogP2.26
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide?
The IUPAC name of N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide (CID 114103038) is N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide is CCc1occc1C(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide?
The InChIKey is LMCOUCJFEMGOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-12-10(6-7-17-12)13(16)15-11-5-3-4-9(11)8-14/h6-7,9,11H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide?
N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide is sourced from PubChem (CID 114103038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).