3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one

C7H9NO2 — CID 175672757

IUPAC3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one
SMILESO=C1NCC=C2OCCC12
InChIInChI=1S/C7H9NO2/c9-7-5-2-4-10-6(5)1-3-8-7/h1,5H,2-4H2,(H,8,9)
InChIKeyWCZALRYJISIVCF-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.04
Rot. Bonds

About 3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one

3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one (PubChem CID 175672757) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one
PubChem CID175672757
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one
SMILESO=C1NCC=C2OCCC12
InChIInChI=1S/C7H9NO2/c9-7-5-2-4-10-6(5)1-3-8-7/h1,5H,2-4H2,(H,8,9)
InChIKeyWCZALRYJISIVCF-UHFFFAOYSA-N
XLogP0.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

3-pyridin-4-yloxolan-2-one
CID 55297132
4-methyl-3,3a-dihydro-2H-furo[2,3-b]pyridin-6-one
CID 78177391
3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 172726440
5-hydroxy-4-propan-2-yl-2,5-dihydro-1H-pyridin-6-one
CID 146248406
6-amino-3,4-dihydro-1H-pyrimidin-2-one
CID 55219745
(4aR,8aS)-5-methyl-3,4,4a,7,8,8a-hexahydroisochromen-1-one
CID 101224249
3-thiophen-2-yloxolan-2-one
CID 142704105
3-(2,3,5,6-tetramethylphenyl)piperidin-2-one
CID 82128738
(3S)-3-(4-methoxyphenyl)oxolan-2-one
CID 124514698
4-[(3R)-2-oxooxolan-3-yl]benzoic acid
CID 86754139
bromo-(2-oxooxolan-3-yl)tin(2+)
CID 16717342
4,4a-dihydro-3H-isochromene-5,8-dione
CID 18932610

Frequently Asked Questions

What is the IUPAC name of 3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one?
The IUPAC name of 3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one (CID 175672757) is 3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one?
The canonical SMILES for 3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one is O=C1NCC=C2OCCC12.
What is the InChIKey of 3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one?
The InChIKey is WCZALRYJISIVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-7-5-2-4-10-6(5)1-3-8-7/h1,5H,2-4H2,(H,8,9).
What are the key properties of 3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one?
3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one has a molecular weight of 139.15 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,5,6-tetrahydro-2H-furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 175672757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).