(2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine

C13H21NO — CID 67522564

IUPAC(2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine
SMILESCCC(C)[C@@H]1C[C@H](c2ccco2)CN1C
InChIInChI=1S/C13H21NO/c1-4-10(2)12-8-11(9-14(12)3)13-6-5-7-15-13/h5-7,10-12H,4,8-9H2,1-3H3/t10?,11-,12-/m0/s1
InChIKeyYLZVHGAHZVMIAZ-RAMGSTBQSA-N
MW207.32 g/mol
LogP3.11
Rot. Bonds3

About (2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine

(2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine (PubChem CID 67522564) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine
PubChem CID67522564
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine
SMILESCCC(C)[C@@H]1C[C@H](c2ccco2)CN1C
InChIInChI=1S/C13H21NO/c1-4-10(2)12-8-11(9-14(12)3)13-6-5-7-15-13/h5-7,10-12H,4,8-9H2,1-3H3/t10?,11-,12-/m0/s1
InChIKeyYLZVHGAHZVMIAZ-RAMGSTBQSA-N
XLogP3.11
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine?
The IUPAC name of (2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine (CID 67522564) is (2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine.
What is the SMILES notation for (2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine?
The canonical SMILES for (2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine is CCC(C)[C@@H]1C[C@H](c2ccco2)CN1C.
What is the InChIKey of (2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine?
The InChIKey is YLZVHGAHZVMIAZ-RAMGSTBQSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-10(2)12-8-11(9-14(12)3)13-6-5-7-15-13/h5-7,10-12H,4,8-9H2,1-3H3/t10?,11-,12-/m0/s1.
What are the key properties of (2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine?
(2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine has a molecular weight of 207.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine is sourced from PubChem (CID 67522564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).