2-chloro-N-(2-cyanocyclopentyl)propanamide

C9H13ClN2O — CID 62962723

IUPAC2-chloro-N-(2-cyanocyclopentyl)propanamide
SMILESCC(Cl)C(=O)NC1CCCC1C#N
InChIInChI=1S/C9H13ClN2O/c1-6(10)9(13)12-8-4-2-3-7(8)5-11/h6-8H,2-4H2,1H3,(H,12,13)
InChIKeyNQSBIBCEECAWFK-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.42
Rot. Bonds2

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

2-chloro-N-(2-cyanocyclopentyl)propanamide (PubChem CID 62962723) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanocyclopentyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanocyclopentyl)propanamide
PubChem CID62962723
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-chloro-N-(2-cyanocyclopentyl)propanamide
SMILESCC(Cl)C(=O)NC1CCCC1C#N
InChIInChI=1S/C9H13ClN2O/c1-6(10)9(13)12-8-4-2-3-7(8)5-11/h6-8H,2-4H2,1H3,(H,12,13)
InChIKeyNQSBIBCEECAWFK-UHFFFAOYSA-N
XLogP1.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.42
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 2-chloro-N-(2-cyanocyclopentyl)propanamide?
The IUPAC name of 2-chloro-N-(2-cyanocyclopentyl)propanamide (CID 62962723) is 2-chloro-N-(2-cyanocyclopentyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-cyanocyclopentyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-cyanocyclopentyl)propanamide is CC(Cl)C(=O)NC1CCCC1C#N.
What is the InChIKey of 2-chloro-N-(2-cyanocyclopentyl)propanamide?
The InChIKey is NQSBIBCEECAWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6(10)9(13)12-8-4-2-3-7(8)5-11/h6-8H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-(2-cyanocyclopentyl)propanamide?
2-chloro-N-(2-cyanocyclopentyl)propanamide has a molecular weight of 200.67 g/mol, XLogP of 1.42, 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)propanamide is sourced from PubChem (CID 62962723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).