N-(2-cyanocyclopentyl)propanamide

C9H14N2O — CID 62961430

IUPACN-(2-cyanocyclopentyl)propanamide
SMILESCCC(=O)NC1CCCC1C#N
InChIInChI=1S/C9H14N2O/c1-2-9(12)11-8-5-3-4-7(8)6-10/h7-8H,2-5H2,1H3,(H,11,12)
InChIKeyFCKXPYJXUBGBSH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.20
Rot. Bonds2

About N-(2-cyanocyclopentyl)propanamide

N-(2-cyanocyclopentyl)propanamide (PubChem CID 62961430) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)propanamide
PubChem CID62961430
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(2-cyanocyclopentyl)propanamide
SMILESCCC(=O)NC1CCCC1C#N
InChIInChI=1S/C9H14N2O/c1-2-9(12)11-8-5-3-4-7(8)6-10/h7-8H,2-5H2,1H3,(H,11,12)
InChIKeyFCKXPYJXUBGBSH-UHFFFAOYSA-N
XLogP1.20
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)propanamide?
The IUPAC name of N-(2-cyanocyclopentyl)propanamide (CID 62961430) is N-(2-cyanocyclopentyl)propanamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)propanamide?
The canonical SMILES for N-(2-cyanocyclopentyl)propanamide is CCC(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)propanamide?
The InChIKey is FCKXPYJXUBGBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-9(12)11-8-5-3-4-7(8)6-10/h7-8H,2-5H2,1H3,(H,11,12).
What are the key properties of N-(2-cyanocyclopentyl)propanamide?
N-(2-cyanocyclopentyl)propanamide has a molecular weight of 166.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)propanamide is sourced from PubChem (CID 62961430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).