N-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide

C10H15ClN2O — CID 13361513

IUPACN-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@H]1CC(Cl)C#N
InChIInChI=1S/C10H15ClN2O/c1-7(14)13-10-4-2-3-8(10)5-9(11)6-12/h8-10H,2-5H2,1H3,(H,13,14)/t8-,9?,10+/m0/s1
InChIKeyOSWAUHHXPGUOPH-DJBFQZMMSA-N
MW214.70 g/mol
LogP1.81
Rot. Bonds3

About N-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide

N-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide (PubChem CID 13361513) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide
PubChem CID13361513
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC NameN-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@H]1CC(Cl)C#N
InChIInChI=1S/C10H15ClN2O/c1-7(14)13-10-4-2-3-8(10)5-9(11)6-12/h8-10H,2-5H2,1H3,(H,13,14)/t8-,9?,10+/m0/s1
InChIKeyOSWAUHHXPGUOPH-DJBFQZMMSA-N
XLogP1.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide?
The IUPAC name of N-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide (CID 13361513) is N-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide?
The canonical SMILES for N-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide is CC(=O)N[C@@H]1CCC[C@H]1CC(Cl)C#N.
What is the InChIKey of N-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide?
The InChIKey is OSWAUHHXPGUOPH-DJBFQZMMSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(14)13-10-4-2-3-8(10)5-9(11)6-12/h8-10H,2-5H2,1H3,(H,13,14)/t8-,9?,10+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide?
N-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide has a molecular weight of 214.70 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2-chloro-2-cyanoethyl)cyclopentyl]acetamide is sourced from PubChem (CID 13361513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).