2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one

C7H11NO2 — CID 83913979

IUPAC2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one
SMILESO=C1CCNC2COCC12
InChIInChI=1S/C7H11NO2/c9-7-1-2-8-6-4-10-3-5(6)7/h5-6,8H,1-4H2
InChIKeyPYSLFAGCWGPDMH-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.44
Rot. Bonds

About 2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one

2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one (PubChem CID 83913979) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one.

Molecular Properties

Compound Name2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one
PubChem CID83913979
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one
SMILESO=C1CCNC2COCC12
InChIInChI=1S/C7H11NO2/c9-7-1-2-8-6-4-10-3-5(6)7/h5-6,8H,1-4H2
InChIKeyPYSLFAGCWGPDMH-UHFFFAOYSA-N
XLogP-0.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one?
The IUPAC name of 2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one (CID 83913979) is 2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one.
What is the SMILES notation for 2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one?
The canonical SMILES for 2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one is O=C1CCNC2COCC12.
What is the InChIKey of 2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one?
The InChIKey is PYSLFAGCWGPDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-7-1-2-8-6-4-10-3-5(6)7/h5-6,8H,1-4H2.
What are the key properties of 2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one?
2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one has a molecular weight of 141.17 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one is sourced from PubChem (CID 83913979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).