4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one

C12H15NO2 — CID 5325751

IUPAC4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one
SMILESCn1cc2occc2c(C(C)(C)C)c1=O
InChIInChI=1S/C12H15NO2/c1-12(2,3)10-8-5-6-15-9(8)7-13(4)11(10)14/h5-7H,1-4H3
InChIKeyCLNHNIFFYGYTPT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.43
Rot. Bonds

About 4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one

4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one (PubChem CID 5325751) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one.

Molecular Properties

Compound Name4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one
PubChem CID5325751
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one
SMILESCn1cc2occc2c(C(C)(C)C)c1=O
InChIInChI=1S/C12H15NO2/c1-12(2,3)10-8-5-6-15-9(8)7-13(4)11(10)14/h5-7H,1-4H3
InChIKeyCLNHNIFFYGYTPT-UHFFFAOYSA-N
XLogP2.43
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Propan-2-ylfuro[3,2-a]quinolizin-5-one
CID 57910115
5,7-Dimethylfuro[3,2-c]pyridin-6-one
CID 59284003
2,4,6-Trimethylfuro[2,3-c]pyridin-5-one
CID 59284183
4,6-Dimethylfuro[2,3-c]pyridin-5-one
CID 59284237
4-Methoxy-1-methyl-3-propan-2-ylpyridin-2-one
CID 146615391
3-Ethyl-4-methoxy-1-methylpyridin-2-one
CID 167006179
6-Deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one
CID 175896283
5-Methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one;propane
CID 177030081
1,3-Ditert-butyl-4-ethoxypyridin-2-one
CID 178550849
3-Tert-butyl-5-methoxy-1-methyl-4-propan-2-yloxypyridin-2-one
CID 10562840
5-Methyl-2,3-dihydrofuro[3,2-c]pyridin-4-one
CID 177030082
3,5-Dimethyl-2,3-dihydrofuro[3,2-c]pyridin-4-one
CID 177030361

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one?
The IUPAC name of 4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one (CID 5325751) is 4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one.
What is the SMILES notation for 4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one?
The canonical SMILES for 4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one is Cn1cc2occc2c(C(C)(C)C)c1=O.
What is the InChIKey of 4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one?
The InChIKey is CLNHNIFFYGYTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2,3)10-8-5-6-15-9(8)7-13(4)11(10)14/h5-7H,1-4H3.
What are the key properties of 4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one?
4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one has a molecular weight of 205.26 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methylfuro[2,3-c]pyridin-5-one is sourced from PubChem (CID 5325751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).