3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one

C7H9NO2 — CID 90047771

IUPAC3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one
SMILESO=C1NC=CC2COCC12
InChIInChI=1S/C7H9NO2/c9-7-6-4-10-3-5(6)1-2-8-7/h1-2,5-6H,3-4H2,(H,8,9)
InChIKeyDTHSZDXGBJRBSR-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.11
Rot. Bonds

About 3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one

3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one (PubChem CID 90047771) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one
PubChem CID90047771
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one
SMILESO=C1NC=CC2COCC12
InChIInChI=1S/C7H9NO2/c9-7-6-4-10-3-5(6)1-2-8-7/h1-2,5-6H,3-4H2,(H,8,9)
InChIKeyDTHSZDXGBJRBSR-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one?
The IUPAC name of 3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one (CID 90047771) is 3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one.
What is the SMILES notation for 3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one?
The canonical SMILES for 3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one is O=C1NC=CC2COCC12.
What is the InChIKey of 3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one?
The InChIKey is DTHSZDXGBJRBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-7-6-4-10-3-5(6)1-2-8-7/h1-2,5-6H,3-4H2,(H,8,9).
What are the key properties of 3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one?
3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one has a molecular weight of 139.15 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,5,7a-tetrahydro-1H-furo[3,4-c]pyridin-4-one is sourced from PubChem (CID 90047771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).