4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one

C8H9NO2 — CID 123138256

IUPAC4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one
SMILESCC1CC=NC2=C1C(=O)OC2
InChIInChI=1S/C8H9NO2/c1-5-2-3-9-6-4-11-8(10)7(5)6/h3,5H,2,4H2,1H3
InChIKeySDXPLZTXUAONDW-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.91
Rot. Bonds

About 4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one

4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one (PubChem CID 123138256) has the molecular formula C8H9NO2 and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one
PubChem CID123138256
Molecular FormulaC8H9NO2
Molecular Weight151.17 g/mol
Exact Mass151.06
IUPAC Name4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one
SMILESCC1CC=NC2=C1C(=O)OC2
InChIInChI=1S/C8H9NO2/c1-5-2-3-9-6-4-11-8(10)7(5)6/h3,5H,2,4H2,1H3
InChIKeySDXPLZTXUAONDW-UHFFFAOYSA-N
XLogP0.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-3,4,5,7-tetrahydro-2-benzofuran-1,6-dione
CID 130028271
4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
CID 10419365
benzene;7-methyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one
CID 176920775
methyl 2-methyl-5-oxo-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-3-carboxylate
CID 54161386
4,6,7-trimethyl-3,4-dihydroquinoline
CID 138625489
3H-azet-2-one
CID 12853312
3,6-dihydropyrrolo[3,2-b]pyrrole
CID 122502596
3-propan-2-yl-3,4-dihydropyrrol-2-one
CID 169094910
2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
CID 21018872
7-methyl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 142354764
(8S)-8-(3-bromo-4-methylphenyl)-5,12-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7)-diene-6,10-dione
CID 91095271
(5S)-5-methyl-1,4-dioxane-2,3-dione
CID 10329318

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one?
The IUPAC name of 4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one (CID 123138256) is 4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one?
The canonical SMILES for 4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one is CC1CC=NC2=C1C(=O)OC2.
What is the InChIKey of 4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one?
The InChIKey is SDXPLZTXUAONDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-2-3-9-6-4-11-8(10)7(5)6/h3,5H,2,4H2,1H3.
What are the key properties of 4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one?
4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one has a molecular weight of 151.17 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 123138256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).