2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine

C12H19NO — CID 66465627

IUPAC2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(c2ccoc2)CCCN1
InChIInChI=1S/C12H19NO/c1-10(2)8-12(5-3-6-13-12)11-4-7-14-9-11/h4,7,9-10,13H,3,5-6,8H2,1-2H3
InChIKeyOZKFEXUOAQAHHP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.90
Rot. Bonds3

About 2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine

2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 66465627) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine
PubChem CID66465627
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(c2ccoc2)CCCN1
InChIInChI=1S/C12H19NO/c1-10(2)8-12(5-3-6-13-12)11-4-7-14-9-11/h4,7,9-10,13H,3,5-6,8H2,1-2H3
InChIKeyOZKFEXUOAQAHHP-UHFFFAOYSA-N
XLogP2.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine (CID 66465627) is 2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine is CC(C)CC1(c2ccoc2)CCCN1.
What is the InChIKey of 2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is OZKFEXUOAQAHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)8-12(5-3-6-13-12)11-4-7-14-9-11/h4,7,9-10,13H,3,5-6,8H2,1-2H3.
What are the key properties of 2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine?
2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 193.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 66465627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).