2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid

C9H15NO2 — CID 86003229

IUPAC2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
SMILESC=C(C)C1CNCC1CC(=O)O
InChIInChI=1S/C9H15NO2/c1-6(2)8-5-10-4-7(8)3-9(11)12/h7-8,10H,1,3-5H2,2H3,(H,11,12)
InChIKeyKLQTVXGBKLYWRK-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.87
Rot. Bonds3

About 2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid

2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid (PubChem CID 86003229) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
PubChem CID86003229
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
SMILESC=C(C)C1CNCC1CC(=O)O
InChIInChI=1S/C9H15NO2/c1-6(2)8-5-10-4-7(8)3-9(11)12/h7-8,10H,1,3-5H2,2H3,(H,11,12)
InChIKeyKLQTVXGBKLYWRK-UHFFFAOYSA-N
XLogP0.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
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 2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid (CID 86003229) is 2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid is C=C(C)C1CNCC1CC(=O)O.
What is the InChIKey of 2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid?
The InChIKey is KLQTVXGBKLYWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)8-5-10-4-7(8)3-9(11)12/h7-8,10H,1,3-5H2,2H3,(H,11,12).
What are the key properties of 2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid?
2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid has a molecular weight of 169.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 86003229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).