4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole

C14H23NO — CID 130396675

IUPAC4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole
SMILESCC(C)(C)c1[nH]c(C(C)(C)C)c2c1COC2
InChIInChI=1S/C14H23NO/c1-13(2,3)11-9-7-16-8-10(9)12(15-11)14(4,5)6/h15H,7-8H2,1-6H3
InChIKeyLPBNAXFPBRESQE-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.64
Rot. Bonds

About 4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole

4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole (PubChem CID 130396675) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole
PubChem CID130396675
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole
SMILESCC(C)(C)c1[nH]c(C(C)(C)C)c2c1COC2
InChIInChI=1S/C14H23NO/c1-13(2,3)11-9-7-16-8-10(9)12(15-11)14(4,5)6/h15H,7-8H2,1-6H3
InChIKeyLPBNAXFPBRESQE-UHFFFAOYSA-N
XLogP3.64
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of 4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole (CID 130396675) is 4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for 4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for 4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole is CC(C)(C)c1[nH]c(C(C)(C)C)c2c1COC2.
What is the InChIKey of 4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole?
The InChIKey is LPBNAXFPBRESQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13(2,3)11-9-7-16-8-10(9)12(15-11)14(4,5)6/h15H,7-8H2,1-6H3.
What are the key properties of 4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole?
4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole has a molecular weight of 221.34 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 130396675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).