3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one

C14H23NO3 — CID 10562840

IUPAC3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one
SMILESCOc1cn(C)c(=O)c(C(C)(C)C)c1OC(C)C
InChIInChI=1S/C14H23NO3/c1-9(2)18-12-10(17-7)8-15(6)13(16)11(12)14(3,4)5/h8-9H,1-7H3
InChIKeyIGZIPJFSGRRPPB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.48
Rot. Bonds3

About 3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one

3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one (PubChem CID 10562840) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one.

Molecular Properties

Compound Name3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one
PubChem CID10562840
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one
SMILESCOc1cn(C)c(=O)c(C(C)(C)C)c1OC(C)C
InChIInChI=1S/C14H23NO3/c1-9(2)18-12-10(17-7)8-15(6)13(16)11(12)14(3,4)5/h8-9H,1-7H3
InChIKeyIGZIPJFSGRRPPB-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one?
The IUPAC name of 3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one (CID 10562840) is 3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one.
What is the SMILES notation for 3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one?
The canonical SMILES for 3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one is COc1cn(C)c(=O)c(C(C)(C)C)c1OC(C)C.
What is the InChIKey of 3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one?
The InChIKey is IGZIPJFSGRRPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)18-12-10(17-7)8-15(6)13(16)11(12)14(3,4)5/h8-9H,1-7H3.
What are the key properties of 3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one?
3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one has a molecular weight of 253.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one is sourced from PubChem (CID 10562840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).