2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

C11H17NO — CID 82600240

IUPAC2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESCC(C)(C)c1cc2c(o1)CCNC2
InChIInChI=1S/C11H17NO/c1-11(2,3)10-6-8-7-12-5-4-9(8)13-10/h6,12H,4-5,7H2,1-3H3
InChIKeyJPIOILDJQKNNOZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.22
Rot. Bonds

About 2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (PubChem CID 82600240) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
PubChem CID82600240
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESCC(C)(C)c1cc2c(o1)CCNC2
InChIInChI=1S/C11H17NO/c1-11(2,3)10-6-8-7-12-5-4-9(8)13-10/h6,12H,4-5,7H2,1-3H3
InChIKeyJPIOILDJQKNNOZ-UHFFFAOYSA-N
XLogP2.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (CID 82600240) is 2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.
What is the SMILES notation for 2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The canonical SMILES for 2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is CC(C)(C)c1cc2c(o1)CCNC2.
What is the InChIKey of 2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The InChIKey is JPIOILDJQKNNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,3)10-6-8-7-12-5-4-9(8)13-10/h6,12H,4-5,7H2,1-3H3.
What are the key properties of 2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine has a molecular weight of 179.26 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 82600240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).