4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one

C8H9NO2 — CID 78177391

IUPAC4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one
SMILESCC1=CC(=O)N=C2OCCC12
InChIInChI=1S/C8H9NO2/c1-5-4-7(10)9-8-6(5)2-3-11-8/h4,6H,2-3H2,1H3
InChIKeyQMDXQSNNVUUPBW-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.91
Rot. Bonds

About 4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one

4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one (PubChem CID 78177391) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one
PubChem CID78177391
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one
SMILESCC1=CC(=O)N=C2OCCC12
InChIInChI=1S/C8H9NO2/c1-5-4-7(10)9-8-6(5)2-3-11-8/h4,6H,2-3H2,1H3
InChIKeyQMDXQSNNVUUPBW-UHFFFAOYSA-N
XLogP0.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(4aR,8aS)-5-methyl-3,4,4a,7,8,8a-hexahydroisochromen-1-one
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ethyl 4-[(3S)-2-oxooxolan-3-yl]benzoate
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3-thiophen-2-yloxolan-2-one
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2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
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methyl 4-(2-oxooxolan-3-yl)benzoate
CID 138963901
4-[(3R)-2-oxooxolan-3-yl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one?
The IUPAC name of 4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one (CID 78177391) is 4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one?
The canonical SMILES for 4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one is CC1=CC(=O)N=C2OCCC12.
What is the InChIKey of 4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one?
The InChIKey is QMDXQSNNVUUPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-4-7(10)9-8-6(5)2-3-11-8/h4,6H,2-3H2,1H3.
What are the key properties of 4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one?
4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one has a molecular weight of 151.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one is sourced from PubChem (CID 78177391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).