2-pent-4-enylpyrrolidine-2-carboxylic acid

C10H17NO2 — CID 115563174

IUPAC2-pent-4-enylpyrrolidine-2-carboxylic acid
SMILESC=CCCCC1(C(=O)O)CCCN1
InChIInChI=1S/C10H17NO2/c1-2-3-4-6-10(9(12)13)7-5-8-11-10/h2,11H,1,3-8H2,(H,12,13)
InChIKeyOEZXLEBOLJGBSO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds5

About 2-pent-4-enylpyrrolidine-2-carboxylic acid

2-pent-4-enylpyrrolidine-2-carboxylic acid (PubChem CID 115563174) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-pent-4-enylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-pent-4-enylpyrrolidine-2-carboxylic acid
PubChem CID115563174
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-pent-4-enylpyrrolidine-2-carboxylic acid
SMILESC=CCCCC1(C(=O)O)CCCN1
InChIInChI=1S/C10H17NO2/c1-2-3-4-6-10(9(12)13)7-5-8-11-10/h2,11H,1,3-8H2,(H,12,13)
InChIKeyOEZXLEBOLJGBSO-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-pent-4-enylpyrrolidine-2-carboxylic acid?
The IUPAC name of 2-pent-4-enylpyrrolidine-2-carboxylic acid (CID 115563174) is 2-pent-4-enylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-pent-4-enylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-pent-4-enylpyrrolidine-2-carboxylic acid is C=CCCCC1(C(=O)O)CCCN1.
What is the InChIKey of 2-pent-4-enylpyrrolidine-2-carboxylic acid?
The InChIKey is OEZXLEBOLJGBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-4-6-10(9(12)13)7-5-8-11-10/h2,11H,1,3-8H2,(H,12,13).
What are the key properties of 2-pent-4-enylpyrrolidine-2-carboxylic acid?
2-pent-4-enylpyrrolidine-2-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115563174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).