(3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid

C11H19NO2 — CID 170007899

IUPAC(3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid
SMILESC=CCC(CC)N1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-3-5-10(4-2)12-7-6-9(8-12)11(13)14/h3,9-10H,1,4-8H2,2H3,(H,13,14)/t9-,10?/m0/s1
InChIKeyFCQPIROTKMCNFZ-RGURZIINSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds5

About (3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid

(3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid (PubChem CID 170007899) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid
PubChem CID170007899
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid
SMILESC=CCC(CC)N1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-3-5-10(4-2)12-7-6-9(8-12)11(13)14/h3,9-10H,1,4-8H2,2H3,(H,13,14)/t9-,10?/m0/s1
InChIKeyFCQPIROTKMCNFZ-RGURZIINSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid (CID 170007899) is (3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid is C=CCC(CC)N1CC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid?
The InChIKey is FCQPIROTKMCNFZ-RGURZIINSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-5-10(4-2)12-7-6-9(8-12)11(13)14/h3,9-10H,1,4-8H2,2H3,(H,13,14)/t9-,10?/m0/s1.
What are the key properties of (3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid?
(3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 170007899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).