1-prop-2-enoylpyrrolidine-3-carboxylic acid

C8H11NO3 — CID 23034656

IUPAC1-prop-2-enoylpyrrolidine-3-carboxylic acid
SMILESC=CC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C8H11NO3/c1-2-7(10)9-4-3-6(5-9)8(11)12/h2,6H,1,3-5H2,(H,11,12)
InChIKeyWAQCGNDULBMNQJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.11
Rot. Bonds2

About 1-prop-2-enoylpyrrolidine-3-carboxylic acid

1-prop-2-enoylpyrrolidine-3-carboxylic acid (PubChem CID 23034656) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-prop-2-enoylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-prop-2-enoylpyrrolidine-3-carboxylic acid
PubChem CID23034656
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-prop-2-enoylpyrrolidine-3-carboxylic acid
SMILESC=CC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C8H11NO3/c1-2-7(10)9-4-3-6(5-9)8(11)12/h2,6H,1,3-5H2,(H,11,12)
InChIKeyWAQCGNDULBMNQJ-UHFFFAOYSA-N
XLogP0.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-prop-2-enoylpyrrolidine-3-carboxylic acid (CID 23034656) is 1-prop-2-enoylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-prop-2-enoylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-prop-2-enoylpyrrolidine-3-carboxylic acid is C=CC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-prop-2-enoylpyrrolidine-3-carboxylic acid?
The InChIKey is WAQCGNDULBMNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-7(10)9-4-3-6(5-9)8(11)12/h2,6H,1,3-5H2,(H,11,12).
What are the key properties of 1-prop-2-enoylpyrrolidine-3-carboxylic acid?
1-prop-2-enoylpyrrolidine-3-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 23034656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).