(2S)-2-hex-5-enyl-1-methylpyrrolidine

C11H21N — CID 134905773

IUPAC(2S)-2-hex-5-enyl-1-methylpyrrolidine
SMILESC=CCCCC[C@H]1CCCN1C
InChIInChI=1S/C11H21N/c1-3-4-5-6-8-11-9-7-10-12(11)2/h3,11H,1,4-10H2,2H3/t11-/m0/s1
InChIKeyMBBGVQHEEGQLOC-NSHDSACASA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds5

About (2S)-2-hex-5-enyl-1-methylpyrrolidine

(2S)-2-hex-5-enyl-1-methylpyrrolidine (PubChem CID 134905773) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2S)-2-hex-5-enyl-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-hex-5-enyl-1-methylpyrrolidine
PubChem CID134905773
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2S)-2-hex-5-enyl-1-methylpyrrolidine
SMILESC=CCCCC[C@H]1CCCN1C
InChIInChI=1S/C11H21N/c1-3-4-5-6-8-11-9-7-10-12(11)2/h3,11H,1,4-10H2,2H3/t11-/m0/s1
InChIKeyMBBGVQHEEGQLOC-NSHDSACASA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hex-5-enyl-1-methylpyrrolidine?
The IUPAC name of (2S)-2-hex-5-enyl-1-methylpyrrolidine (CID 134905773) is (2S)-2-hex-5-enyl-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-hex-5-enyl-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-hex-5-enyl-1-methylpyrrolidine is C=CCCCC[C@H]1CCCN1C.
What is the InChIKey of (2S)-2-hex-5-enyl-1-methylpyrrolidine?
The InChIKey is MBBGVQHEEGQLOC-NSHDSACASA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-5-6-8-11-9-7-10-12(11)2/h3,11H,1,4-10H2,2H3/t11-/m0/s1.
What are the key properties of (2S)-2-hex-5-enyl-1-methylpyrrolidine?
(2S)-2-hex-5-enyl-1-methylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hex-5-enyl-1-methylpyrrolidine is sourced from PubChem (CID 134905773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).