2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide

C13H22N2O — CID 64921013

IUPAC2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide
SMILESCCC1CCC(NC(=O)C(C)(C)C#N)C1C
InChIInChI=1S/C13H22N2O/c1-5-10-6-7-11(9(10)2)15-12(16)13(3,4)8-14/h9-11H,5-7H2,1-4H3,(H,15,16)
InChIKeyMJXXVLZOPWRVDB-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.48
Rot. Bonds3

About 2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide

2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide (PubChem CID 64921013) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide
PubChem CID64921013
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide
SMILESCCC1CCC(NC(=O)C(C)(C)C#N)C1C
InChIInChI=1S/C13H22N2O/c1-5-10-6-7-11(9(10)2)15-12(16)13(3,4)8-14/h9-11H,5-7H2,1-4H3,(H,15,16)
InChIKeyMJXXVLZOPWRVDB-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide (CID 64921013) is 2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide is CCC1CCC(NC(=O)C(C)(C)C#N)C1C.
What is the InChIKey of 2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide?
The InChIKey is MJXXVLZOPWRVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-10-6-7-11(9(10)2)15-12(16)13(3,4)8-14/h9-11H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide?
2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide has a molecular weight of 222.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide is sourced from PubChem (CID 64921013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).