(2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine

C9H17N — CID 134958318

IUPAC(2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine
SMILESCC/C=C/N1CCC[C@H]1C
InChIInChI=1S/C9H17N/c1-3-4-7-10-8-5-6-9(10)2/h4,7,9H,3,5-6,8H2,1-2H3/b7-4+/t9-/m1/s1
InChIKeyOAVALNQODWGURT-ILFKPUCNSA-N
MW139.24 g/mol
LogP2.39
Rot. Bonds2

About (2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine

(2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine (PubChem CID 134958318) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine
PubChem CID134958318
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine
SMILESCC/C=C/N1CCC[C@H]1C
InChIInChI=1S/C9H17N/c1-3-4-7-10-8-5-6-9(10)2/h4,7,9H,3,5-6,8H2,1-2H3/b7-4+/t9-/m1/s1
InChIKeyOAVALNQODWGURT-ILFKPUCNSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine?
The IUPAC name of (2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine (CID 134958318) is (2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine.
What is the SMILES notation for (2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine?
The canonical SMILES for (2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine is CC/C=C/N1CCC[C@H]1C.
What is the InChIKey of (2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine?
The InChIKey is OAVALNQODWGURT-ILFKPUCNSA-N. The full InChI is InChI=1S/C9H17N/c1-3-4-7-10-8-5-6-9(10)2/h4,7,9H,3,5-6,8H2,1-2H3/b7-4+/t9-/m1/s1.
What are the key properties of (2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine?
(2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine is sourced from PubChem (CID 134958318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).