5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

C11H21NO — CID 122594525

IUPAC5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCC(C)(C)N1CCC2OCCC2C1
InChIInChI=1S/C11H21NO/c1-11(2,3)12-6-4-10-9(8-12)5-7-13-10/h9-10H,4-8H2,1-3H3
InChIKeyZYQWLASYUZDURW-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds

About 5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 122594525) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID122594525
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCC(C)(C)N1CCC2OCCC2C1
InChIInChI=1S/C11H21NO/c1-11(2,3)12-6-4-10-9(8-12)5-7-13-10/h9-10H,4-8H2,1-3H3
InChIKeyZYQWLASYUZDURW-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of 5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 122594525) is 5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for 5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for 5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is CC(C)(C)N1CCC2OCCC2C1.
What is the InChIKey of 5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is ZYQWLASYUZDURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)12-6-4-10-9(8-12)5-7-13-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 183.29 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 122594525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).