ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine

C11H23NO — CID 164548076

IUPACethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine
SMILESCC.CN1CCC2CCOCC2C1
InChIInChI=1S/C9H17NO.C2H6/c1-10-4-2-8-3-5-11-7-9(8)6-10;1-2/h8-9H,2-7H2,1H3;1-2H3
InChIKeyUZSMJGHGUCHQHY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.00
Rot. Bonds

About ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine

ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine (PubChem CID 164548076) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine.

Molecular Properties

Compound Nameethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine
PubChem CID164548076
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine
SMILESCC.CN1CCC2CCOCC2C1
InChIInChI=1S/C9H17NO.C2H6/c1-10-4-2-8-3-5-11-7-9(8)6-10;1-2/h8-9H,2-7H2,1H3;1-2H3
InChIKeyUZSMJGHGUCHQHY-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine?
The IUPAC name of ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine (CID 164548076) is ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine.
What is the SMILES notation for ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine?
The canonical SMILES for ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine is CC.CN1CCC2CCOCC2C1.
What is the InChIKey of ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine?
The InChIKey is UZSMJGHGUCHQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-10-4-2-8-3-5-11-7-9(8)6-10;1-2/h8-9H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine?
ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine has a molecular weight of 185.31 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine is sourced from PubChem (CID 164548076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).