5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one

C11H13NO3 — CID 101092471

IUPAC5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one
SMILESCC(C)OC1(C)OC(=O)c2ncccc21
InChIInChI=1S/C11H13NO3/c1-7(2)14-11(3)8-5-4-6-12-9(8)10(13)15-11/h4-7H,1-3H3
InChIKeyINDYNMVUMNOVFC-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.85
Rot. Bonds2

About 5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one

5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one (PubChem CID 101092471) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one
PubChem CID101092471
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one
SMILESCC(C)OC1(C)OC(=O)c2ncccc21
InChIInChI=1S/C11H13NO3/c1-7(2)14-11(3)8-5-4-6-12-9(8)10(13)15-11/h4-7H,1-3H3
InChIKeyINDYNMVUMNOVFC-UHFFFAOYSA-N
XLogP1.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one?
The IUPAC name of 5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one (CID 101092471) is 5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one.
What is the SMILES notation for 5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one?
The canonical SMILES for 5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one is CC(C)OC1(C)OC(=O)c2ncccc21.
What is the InChIKey of 5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one?
The InChIKey is INDYNMVUMNOVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(2)14-11(3)8-5-4-6-12-9(8)10(13)15-11/h4-7H,1-3H3.
What are the key properties of 5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one?
5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one has a molecular weight of 207.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one is sourced from PubChem (CID 101092471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).