7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one

C8H13NO2 — CID 130141503

IUPAC7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one
SMILESCC1CNC(=O)C2CCOC12
InChIInChI=1S/C8H13NO2/c1-5-4-9-8(10)6-2-3-11-7(5)6/h5-7H,2-4H2,1H3,(H,9,10)
InChIKeyPLWBJYAQRFJSIX-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.16
Rot. Bonds

About 7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one

7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one (PubChem CID 130141503) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one
PubChem CID130141503
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one
SMILESCC1CNC(=O)C2CCOC12
InChIInChI=1S/C8H13NO2/c1-5-4-9-8(10)6-2-3-11-7(5)6/h5-7H,2-4H2,1H3,(H,9,10)
InChIKeyPLWBJYAQRFJSIX-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

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(5R)-4,5-dimethylpiperidin-2-one
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(3aR,7aS)-7-methyl-3a,4,5,6,7,7a-hexahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one?
The IUPAC name of 7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one (CID 130141503) is 7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one?
The canonical SMILES for 7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one is CC1CNC(=O)C2CCOC12.
What is the InChIKey of 7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one?
The InChIKey is PLWBJYAQRFJSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-4-9-8(10)6-2-3-11-7(5)6/h5-7H,2-4H2,1H3,(H,9,10).
What are the key properties of 7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one?
7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one has a molecular weight of 155.20 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 130141503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).