3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine

C8H15NO — CID 90322116

IUPAC3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine
SMILESCC1COC2CNCCC12
InChIInChI=1S/C8H15NO/c1-6-5-10-8-4-9-3-2-7(6)8/h6-9H,2-5H2,1H3
InChIKeyXXZIZOHAVVRPIN-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds

About 3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine

3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine (PubChem CID 90322116) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine.

Molecular Properties

Compound Name3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine
PubChem CID90322116
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine
SMILESCC1COC2CNCCC12
InChIInChI=1S/C8H15NO/c1-6-5-10-8-4-9-3-2-7(6)8/h6-9H,2-5H2,1H3
InChIKeyXXZIZOHAVVRPIN-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine?
The IUPAC name of 3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine (CID 90322116) is 3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine.
What is the SMILES notation for 3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine?
The canonical SMILES for 3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine is CC1COC2CNCCC12.
What is the InChIKey of 3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine?
The InChIKey is XXZIZOHAVVRPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-5-10-8-4-9-3-2-7(6)8/h6-9H,2-5H2,1H3.
What are the key properties of 3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine?
3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine has a molecular weight of 141.21 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine is sourced from PubChem (CID 90322116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).