(2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine

C13H23N — CID 134905415

IUPAC(2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine
SMILESC=CCCCC[C@H]1CCCN1CC=C
InChIInChI=1S/C13H23N/c1-3-5-6-7-9-13-10-8-12-14(13)11-4-2/h3-4,13H,1-2,5-12H2/t13-/m0/s1
InChIKeyTWJZNAFLEIRLPG-ZDUSSCGKSA-N
MW193.33 g/mol
LogP3.38
Rot. Bonds7

About (2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine

(2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine (PubChem CID 134905415) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine
PubChem CID134905415
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine
SMILESC=CCCCC[C@H]1CCCN1CC=C
InChIInChI=1S/C13H23N/c1-3-5-6-7-9-13-10-8-12-14(13)11-4-2/h3-4,13H,1-2,5-12H2/t13-/m0/s1
InChIKeyTWJZNAFLEIRLPG-ZDUSSCGKSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.38
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-prop-2-enylpyrrolidine?
The IUPAC name of (2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine (CID 134905415) is (2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine.
What is the SMILES notation for (2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine?
The canonical SMILES for (2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine is C=CCCCC[C@H]1CCCN1CC=C.
What is the InChIKey of (2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine?
The InChIKey is TWJZNAFLEIRLPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23N/c1-3-5-6-7-9-13-10-8-12-14(13)11-4-2/h3-4,13H,1-2,5-12H2/t13-/m0/s1.
What are the key properties of (2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine?
(2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine has a molecular weight of 193.33 g/mol, XLogP of 3.38, 7 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-prop-2-enylpyrrolidine is sourced from PubChem (CID 134905415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).