2-tert-butyl-2-(furan-2-yl)pyrrolidine

C12H19NO — CID 66466753

IUPAC2-tert-butyl-2-(furan-2-yl)pyrrolidine
SMILESCC(C)(C)C1(c2ccco2)CCCN1
InChIInChI=1S/C12H19NO/c1-11(2,3)12(7-5-8-13-12)10-6-4-9-14-10/h4,6,9,13H,5,7-8H2,1-3H3
InChIKeyMGPAWLCBRCAPRP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.90
Rot. Bonds1

About 2-tert-butyl-2-(furan-2-yl)pyrrolidine

2-tert-butyl-2-(furan-2-yl)pyrrolidine (PubChem CID 66466753) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-tert-butyl-2-(furan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-2-(furan-2-yl)pyrrolidine
PubChem CID66466753
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-tert-butyl-2-(furan-2-yl)pyrrolidine
SMILESCC(C)(C)C1(c2ccco2)CCCN1
InChIInChI=1S/C12H19NO/c1-11(2,3)12(7-5-8-13-12)10-6-4-9-14-10/h4,6,9,13H,5,7-8H2,1-3H3
InChIKeyMGPAWLCBRCAPRP-UHFFFAOYSA-N
XLogP2.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(furan-2-yl)pyrrolidine?
The IUPAC name of 2-tert-butyl-2-(furan-2-yl)pyrrolidine (CID 66466753) is 2-tert-butyl-2-(furan-2-yl)pyrrolidine.
What is the SMILES notation for 2-tert-butyl-2-(furan-2-yl)pyrrolidine?
The canonical SMILES for 2-tert-butyl-2-(furan-2-yl)pyrrolidine is CC(C)(C)C1(c2ccco2)CCCN1.
What is the InChIKey of 2-tert-butyl-2-(furan-2-yl)pyrrolidine?
The InChIKey is MGPAWLCBRCAPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-11(2,3)12(7-5-8-13-12)10-6-4-9-14-10/h4,6,9,13H,5,7-8H2,1-3H3.
What are the key properties of 2-tert-butyl-2-(furan-2-yl)pyrrolidine?
2-tert-butyl-2-(furan-2-yl)pyrrolidine has a molecular weight of 193.29 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-(furan-2-yl)pyrrolidine is sourced from PubChem (CID 66466753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).