2-chloro-N-(2-cyanocyclopentyl)acetamide

C8H11ClN2O — CID 62962539

IUPAC2-chloro-N-(2-cyanocyclopentyl)acetamide
SMILESN#CC1CCCC1NC(=O)CCl
InChIInChI=1S/C8H11ClN2O/c9-4-8(12)11-7-3-1-2-6(7)5-10/h6-7H,1-4H2,(H,11,12)
InChIKeyOIKXTLUZVXTLEE-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.03
Rot. Bonds2

About 2-chloro-N-(2-cyanocyclopentyl)acetamide

2-chloro-N-(2-cyanocyclopentyl)acetamide (PubChem CID 62962539) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanocyclopentyl)acetamide
PubChem CID62962539
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-chloro-N-(2-cyanocyclopentyl)acetamide
SMILESN#CC1CCCC1NC(=O)CCl
InChIInChI=1S/C8H11ClN2O/c9-4-8(12)11-7-3-1-2-6(7)5-10/h6-7H,1-4H2,(H,11,12)
InChIKeyOIKXTLUZVXTLEE-UHFFFAOYSA-N
XLogP1.03
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanocyclopentyl)acetamide
CID 53315519
2-chloro-N-(1-cyano-3-methylbutyl)-2-fluoroacetamide
CID 166334676
N-[2-(2-Chloro-2-cyanoethyl)cyclopentyl]acetamide
CID 13361512
trans-1-Acetamido-2-(2-chloro-2-cyanoethyl)cyclopentane
CID 13361513
N-[(1S,2R)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide
CID 70446577
N-[(1S,2R)-2-cyanocyclopentyl]acetamide
CID 90022272
N-[(1R,2S)-2-cyanocyclopentyl]acetamide
CID 90022273
2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide
CID 129172393
2-chloro-N-(cyclopentylmethyl)acetamide
CID 43371121
N-(2-cyanocyclopentyl)propanamide
CID 62961430
3-chloro-N-(2-cyanocyclopentyl)propanamide
CID 62962722
2-chloro-N-(2-cyanocyclopentyl)propanamide
CID 62962723

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanocyclopentyl)acetamide?
The IUPAC name of 2-chloro-N-(2-cyanocyclopentyl)acetamide (CID 62962539) is 2-chloro-N-(2-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-cyanocyclopentyl)acetamide is N#CC1CCCC1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-cyanocyclopentyl)acetamide?
The InChIKey is OIKXTLUZVXTLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-4-8(12)11-7-3-1-2-6(7)5-10/h6-7H,1-4H2,(H,11,12).
What are the key properties of 2-chloro-N-(2-cyanocyclopentyl)acetamide?
2-chloro-N-(2-cyanocyclopentyl)acetamide has a molecular weight of 186.64 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanocyclopentyl)acetamide is sourced from PubChem (CID 62962539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).