5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one

C15H21NO2 — CID 167134446

IUPAC5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one
SMILESCCc1cc(C2CC2)cn(C2CCCOC2)c1=O
InChIInChI=1S/C15H21NO2/c1-2-11-8-13(12-5-6-12)9-16(15(11)17)14-4-3-7-18-10-14/h8-9,12,14H,2-7,10H2,1H3
InChIKeyVJJFMOBZJXRLMR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds3

About 5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one

5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one (PubChem CID 167134446) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one
PubChem CID167134446
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one
SMILESCCc1cc(C2CC2)cn(C2CCCOC2)c1=O
InChIInChI=1S/C15H21NO2/c1-2-11-8-13(12-5-6-12)9-16(15(11)17)14-4-3-7-18-10-14/h8-9,12,14H,2-7,10H2,1H3
InChIKeyVJJFMOBZJXRLMR-UHFFFAOYSA-N
XLogP2.64
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one?
The IUPAC name of 5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one (CID 167134446) is 5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one.
What is the SMILES notation for 5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one?
The canonical SMILES for 5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one is CCc1cc(C2CC2)cn(C2CCCOC2)c1=O.
What is the InChIKey of 5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one?
The InChIKey is VJJFMOBZJXRLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-11-8-13(12-5-6-12)9-16(15(11)17)14-4-3-7-18-10-14/h8-9,12,14H,2-7,10H2,1H3.
What are the key properties of 5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one?
5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-ethyl-1-(oxan-3-yl)pyridin-2-one is sourced from PubChem (CID 167134446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).