1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one

C13H17NO — CID 145222506

IUPAC1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one
SMILESCCC12CC(Cn3ccccc3=O)(C1)C2
InChIInChI=1S/C13H17NO/c1-2-12-7-13(8-12,9-12)10-14-6-4-3-5-11(14)15/h3-6H,2,7-10H2,1H3
InChIKeyLZMJHWDHLCIODF-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.43
Rot. Bonds3

About 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one

1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one (PubChem CID 145222506) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one
PubChem CID145222506
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one
SMILESCCC12CC(Cn3ccccc3=O)(C1)C2
InChIInChI=1S/C13H17NO/c1-2-12-7-13(8-12,9-12)10-14-6-4-3-5-11(14)15/h3-6H,2,7-10H2,1H3
InChIKeyLZMJHWDHLCIODF-UHFFFAOYSA-N
XLogP2.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one?
The IUPAC name of 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one (CID 145222506) is 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one is CCC12CC(Cn3ccccc3=O)(C1)C2.
What is the InChIKey of 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one?
The InChIKey is LZMJHWDHLCIODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-12-7-13(8-12,9-12)10-14-6-4-3-5-11(14)15/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one?
1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one is sourced from PubChem (CID 145222506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).