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

C11H21N — CID 134843998

IUPAC(2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine
SMILESCCCC/C=C/N1CCC[C@H]1C
InChIInChI=1S/C11H21N/c1-3-4-5-6-9-12-10-7-8-11(12)2/h6,9,11H,3-5,7-8,10H2,1-2H3/b9-6+/t11-/m1/s1
InChIKeyJJXRAULPSVEVGR-OALRPVAKSA-N
MW167.30 g/mol
LogP3.17
Rot. Bonds4

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

(2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine (PubChem CID 134843998) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine
PubChem CID134843998
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine
SMILESCCCC/C=C/N1CCC[C@H]1C
InChIInChI=1S/C11H21N/c1-3-4-5-6-9-12-10-7-8-11(12)2/h6,9,11H,3-5,7-8,10H2,1-2H3/b9-6+/t11-/m1/s1
InChIKeyJJXRAULPSVEVGR-OALRPVAKSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine?
The IUPAC name of (2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine (CID 134843998) is (2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine.
What is the SMILES notation for (2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine?
The canonical SMILES for (2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine is CCCC/C=C/N1CCC[C@H]1C.
What is the InChIKey of (2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine?
The InChIKey is JJXRAULPSVEVGR-OALRPVAKSA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-5-6-9-12-10-7-8-11(12)2/h6,9,11H,3-5,7-8,10H2,1-2H3/b9-6+/t11-/m1/s1.
What are the key properties of (2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine?
(2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine is sourced from PubChem (CID 134843998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).