5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one

C13H19BrN2O — CID 62563342

IUPAC5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCNCC1CCCC1
InChIInChI=1S/C13H19BrN2O/c14-12-5-6-13(17)16(10-12)8-7-15-9-11-3-1-2-4-11/h5-6,10-11,15H,1-4,7-9H2
InChIKeyCVKYLXNCUJOZEL-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.39
Rot. Bonds5

About 5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one

5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one (PubChem CID 62563342) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one
PubChem CID62563342
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCNCC1CCCC1
InChIInChI=1S/C13H19BrN2O/c14-12-5-6-13(17)16(10-12)8-7-15-9-11-3-1-2-4-11/h5-6,10-11,15H,1-4,7-9H2
InChIKeyCVKYLXNCUJOZEL-UHFFFAOYSA-N
XLogP2.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one (CID 62563342) is 5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one is O=c1ccc(Br)cn1CCNCC1CCCC1.
What is the InChIKey of 5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one?
The InChIKey is CVKYLXNCUJOZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-12-5-6-13(17)16(10-12)8-7-15-9-11-3-1-2-4-11/h5-6,10-11,15H,1-4,7-9H2.
What are the key properties of 5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one?
5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one has a molecular weight of 299.21 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 62563342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).