3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

C8H15NO — CID 18685062

IUPAC3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESCC12CNCCC1COC2
InChIInChI=1S/C8H15NO/c1-8-5-9-3-2-7(8)4-10-6-8/h7,9H,2-6H2,1H3
InChIKeyJNTBMMFGXLXSLO-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds

About 3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (PubChem CID 18685062) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.

Molecular Properties

Compound Name3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
PubChem CID18685062
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESCC12CNCCC1COC2
InChIInChI=1S/C8H15NO/c1-8-5-9-3-2-7(8)4-10-6-8/h7,9H,2-6H2,1H3
InChIKeyJNTBMMFGXLXSLO-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 3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The IUPAC name of 3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (CID 18685062) is 3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.
What is the SMILES notation for 3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The canonical SMILES for 3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is CC12CNCCC1COC2.
What is the InChIKey of 3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The InChIKey is JNTBMMFGXLXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8-5-9-3-2-7(8)4-10-6-8/h7,9H,2-6H2,1H3.
What are the key properties of 3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-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 3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is sourced from PubChem (CID 18685062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).