2-(2-ethenylpyrrolidin-1-yl)acetic acid

C8H13NO2 — CID 67674478

IUPAC2-(2-ethenylpyrrolidin-1-yl)acetic acid
SMILESC=CC1CCCN1CC(=O)O
InChIInChI=1S/C8H13NO2/c1-2-7-4-3-5-9(7)6-8(10)11/h2,7H,1,3-6H2,(H,10,11)
InChIKeyBFMJGDJWXUWJNB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.72
Rot. Bonds3

About 2-(2-ethenylpyrrolidin-1-yl)acetic acid

2-(2-ethenylpyrrolidin-1-yl)acetic acid (PubChem CID 67674478) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(2-ethenylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethenylpyrrolidin-1-yl)acetic acid
PubChem CID67674478
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(2-ethenylpyrrolidin-1-yl)acetic acid
SMILESC=CC1CCCN1CC(=O)O
InChIInChI=1S/C8H13NO2/c1-2-7-4-3-5-9(7)6-8(10)11/h2,7H,1,3-6H2,(H,10,11)
InChIKeyBFMJGDJWXUWJNB-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid
CID 42614535
2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride
CID 131134631
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid
CID 43409735
2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid
CID 61371898
2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 59252931
2-(2-tert-butylpyrrolidin-1-yl)acetic acid
CID 67953205
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid;hydrochloride
CID 67010209
3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide
CID 156885488
1-dodecyl-2-ethenylpyrrolidine
CID 5143353
1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
CID 45113887
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid
CID 58530414
1-butyl-2-ethenylpyrrolidine
CID 11332575

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(2-ethenylpyrrolidin-1-yl)acetic acid (CID 67674478) is 2-(2-ethenylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-ethenylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-ethenylpyrrolidin-1-yl)acetic acid is C=CC1CCCN1CC(=O)O.
What is the InChIKey of 2-(2-ethenylpyrrolidin-1-yl)acetic acid?
The InChIKey is BFMJGDJWXUWJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-7-4-3-5-9(7)6-8(10)11/h2,7H,1,3-6H2,(H,10,11).
What are the key properties of 2-(2-ethenylpyrrolidin-1-yl)acetic acid?
2-(2-ethenylpyrrolidin-1-yl)acetic acid has a molecular weight of 155.20 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 67674478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).