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

C11H21NO — CID 90337630

IUPAC6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
SMILESCC(C)(C)N1CC2CCCOC2C1
InChIInChI=1S/C11H21NO/c1-11(2,3)12-7-9-5-4-6-13-10(9)8-12/h9-10H,4-8H2,1-3H3
InChIKeyXXIXIVAAWPYIHQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds

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

6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole (PubChem CID 90337630) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole.

Molecular Properties

Compound Name6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
PubChem CID90337630
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
SMILESCC(C)(C)N1CC2CCCOC2C1
InChIInChI=1S/C11H21NO/c1-11(2,3)12-7-9-5-4-6-13-10(9)8-12/h9-10H,4-8H2,1-3H3
InChIKeyXXIXIVAAWPYIHQ-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 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole?
The IUPAC name of 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole (CID 90337630) is 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole.
What is the SMILES notation for 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole?
The canonical SMILES for 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole is CC(C)(C)N1CC2CCCOC2C1.
What is the InChIKey of 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole?
The InChIKey is XXIXIVAAWPYIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)12-7-9-5-4-6-13-10(9)8-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole?
6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole 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 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole is sourced from PubChem (CID 90337630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).