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

C9H13ClN2O — CID 62962722

IUPAC3-chloro-N-(2-cyanocyclopentyl)propanamide
SMILESN#CC1CCCC1NC(=O)CCCl
InChIInChI=1S/C9H13ClN2O/c10-5-4-9(13)12-8-3-1-2-7(8)6-11/h7-8H,1-5H2,(H,12,13)
InChIKeyBSXOZTIDARWGLR-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.42
Rot. Bonds3

About 3-chloro-N-(2-cyanocyclopentyl)propanamide

3-chloro-N-(2-cyanocyclopentyl)propanamide (PubChem CID 62962722) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-chloro-N-(2-cyanocyclopentyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyanocyclopentyl)propanamide
PubChem CID62962722
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-chloro-N-(2-cyanocyclopentyl)propanamide
SMILESN#CC1CCCC1NC(=O)CCCl
InChIInChI=1S/C9H13ClN2O/c10-5-4-9(13)12-8-3-1-2-7(8)6-11/h7-8H,1-5H2,(H,12,13)
InChIKeyBSXOZTIDARWGLR-UHFFFAOYSA-N
XLogP1.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 3-chloro-N-(2-cyanocyclopentyl)propanamide?
The IUPAC name of 3-chloro-N-(2-cyanocyclopentyl)propanamide (CID 62962722) is 3-chloro-N-(2-cyanocyclopentyl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-cyanocyclopentyl)propanamide?
The canonical SMILES for 3-chloro-N-(2-cyanocyclopentyl)propanamide is N#CC1CCCC1NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(2-cyanocyclopentyl)propanamide?
The InChIKey is BSXOZTIDARWGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-5-4-9(13)12-8-3-1-2-7(8)6-11/h7-8H,1-5H2,(H,12,13).
What are the key properties of 3-chloro-N-(2-cyanocyclopentyl)propanamide?
3-chloro-N-(2-cyanocyclopentyl)propanamide has a molecular weight of 200.67 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyanocyclopentyl)propanamide is sourced from PubChem (CID 62962722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).