1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one

C13H19ClN2O — CID 82907204

IUPAC1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCC1CCCC1Cl
InChIInChI=1S/C13H19ClN2O/c14-12-5-3-4-11(12)10-15-7-9-16-8-2-1-6-13(16)17/h1-2,6,8,11-12,15H,3-5,7,9-10H2
InChIKeyUFLXXPOXEGWHEK-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.85
Rot. Bonds5

About 1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one

1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one (PubChem CID 82907204) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one
PubChem CID82907204
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCC1CCCC1Cl
InChIInChI=1S/C13H19ClN2O/c14-12-5-3-4-11(12)10-15-7-9-16-8-2-1-6-13(16)17/h1-2,6,8,11-12,15H,3-5,7,9-10H2
InChIKeyUFLXXPOXEGWHEK-UHFFFAOYSA-N
XLogP1.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one (CID 82907204) is 1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one is O=c1ccccn1CCNCC1CCCC1Cl.
What is the InChIKey of 1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one?
The InChIKey is UFLXXPOXEGWHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-12-5-3-4-11(12)10-15-7-9-16-8-2-1-6-13(16)17/h1-2,6,8,11-12,15H,3-5,7,9-10H2.
What are the key properties of 1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one?
1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one has a molecular weight of 254.76 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 82907204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).