3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one

C15H23NO2 — CID 157042248

IUPAC3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(C2CC2)cc(C(C)(C)C)c1=O
InChIInChI=1S/C15H23NO2/c1-15(2,3)13-9-12(11-5-6-11)10-16(14(13)17)7-8-18-4/h9-11H,5-8H2,1-4H3
InChIKeyRLONPPDQDJNUSN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.67
Rot. Bonds4

About 3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one

3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 157042248) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one
PubChem CID157042248
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(C2CC2)cc(C(C)(C)C)c1=O
InChIInChI=1S/C15H23NO2/c1-15(2,3)13-9-12(11-5-6-11)10-16(14(13)17)7-8-18-4/h9-11H,5-8H2,1-4H3
InChIKeyRLONPPDQDJNUSN-UHFFFAOYSA-N
XLogP2.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one (CID 157042248) is 3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one is COCCn1cc(C2CC2)cc(C(C)(C)C)c1=O.
What is the InChIKey of 3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is RLONPPDQDJNUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)13-9-12(11-5-6-11)10-16(14(13)17)7-8-18-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one?
3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 157042248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).