N-(1-cyanoethyl)cyclopentanecarboxamide

C9H14N2O — CID 61121636

IUPACN-(1-cyanoethyl)cyclopentanecarboxamide
SMILESCC(C#N)NC(=O)C1CCCC1
InChIInChI=1S/C9H14N2O/c1-7(6-10)11-9(12)8-4-2-3-5-8/h7-8H,2-5H2,1H3,(H,11,12)
InChIKeyTWKUNWZVSQORBO-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.20
Rot. Bonds2

About N-(1-cyanoethyl)cyclopentanecarboxamide

N-(1-cyanoethyl)cyclopentanecarboxamide (PubChem CID 61121636) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(1-cyanoethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)cyclopentanecarboxamide
PubChem CID61121636
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(1-cyanoethyl)cyclopentanecarboxamide
SMILESCC(C#N)NC(=O)C1CCCC1
InChIInChI=1S/C9H14N2O/c1-7(6-10)11-9(12)8-4-2-3-5-8/h7-8H,2-5H2,1H3,(H,11,12)
InChIKeyTWKUNWZVSQORBO-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-(1-cyanoethyl)cyclopentanecarboxamide?
The IUPAC name of N-(1-cyanoethyl)cyclopentanecarboxamide (CID 61121636) is N-(1-cyanoethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-cyanoethyl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-cyanoethyl)cyclopentanecarboxamide is CC(C#N)NC(=O)C1CCCC1.
What is the InChIKey of N-(1-cyanoethyl)cyclopentanecarboxamide?
The InChIKey is TWKUNWZVSQORBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(6-10)11-9(12)8-4-2-3-5-8/h7-8H,2-5H2,1H3,(H,11,12).
What are the key properties of N-(1-cyanoethyl)cyclopentanecarboxamide?
N-(1-cyanoethyl)cyclopentanecarboxamide 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-(1-cyanoethyl)cyclopentanecarboxamide is sourced from PubChem (CID 61121636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).