2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid

C9H15NO2 — CID 61371898

IUPAC2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid
SMILESC=CCN1CCCC1CC(=O)O
InChIInChI=1S/C9H15NO2/c1-2-5-10-6-3-4-8(10)7-9(11)12/h2,8H,1,3-7H2,(H,11,12)
InChIKeyKLLQYIHXCXALCM-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.11
Rot. Bonds4

About 2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid

2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid (PubChem CID 61371898) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid
PubChem CID61371898
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid
SMILESC=CCN1CCCC1CC(=O)O
InChIInChI=1S/C9H15NO2/c1-2-5-10-6-3-4-8(10)7-9(11)12/h2,8H,1,3-7H2,(H,11,12)
InChIKeyKLLQYIHXCXALCM-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.11
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 2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid?
The IUPAC name of 2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid (CID 61371898) is 2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid is C=CCN1CCCC1CC(=O)O.
What is the InChIKey of 2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid?
The InChIKey is KLLQYIHXCXALCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-5-10-6-3-4-8(10)7-9(11)12/h2,8H,1,3-7H2,(H,11,12).
What are the key properties of 2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid?
2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid has a molecular weight of 169.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid is sourced from PubChem (CID 61371898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).